Marvin  08081310092D          

 34 35  0  0  0  0            999 V2000
   28.8373  -21.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6855  -20.9404    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6855  -19.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8373  -18.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8373  -17.6154    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6855  -16.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6855  -15.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8373  -14.9554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.9891  -15.6204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9891  -16.9504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5337  -18.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5337  -17.6154    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.3819  -19.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3818  -20.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2300  -18.9454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2299  -21.6054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0782  -19.6104    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0781  -20.9404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.8419  -22.9290    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   38.0510  -21.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.0510  -22.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8991  -20.9396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.8991  -23.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7473  -21.6046    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.7473  -22.9346    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5956  -20.9397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4438  -21.6048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.5956  -23.5996    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4438  -22.9347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2921  -20.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1404  -21.6051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.2923  -23.5997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.1406  -22.9348    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9888  -20.9403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 14  2  0  0  0  0
 17 15  1  0  0  0  0
 18 16  1  0  0  0  0
 18 17  2  0  0  0  0
  1 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 20  1  0  0  0  0
 23 21  1  0  0  0  0
 24 22  1  0  0  0  0
 25 23  1  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  1  0  0  0  0
 30 27  1  0  0  0  0
 31 30  1  0  0  0  0
 32 29  1  0  0  0  0
 33 32  1  0  0  0  0
 34 31  1  0  0  0  0
  1 34  1  0  0  0  0
M  END
> <ID>
CHEBI:75125

> <NAME>
N-[1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]hexadecanamide

> <DEFINITION>
A fatty amide resulting from the formal condensation of palmitic acid with the primary amino group of 2-amino-3-(morpholin-4-yl)-1-phenylpropan-1-ol.

> <STAR>
3

> <SYNONYM>
N-[1-hydroxy-3-(morpholin-4-yl)-1-phenylpropan-2-yl]palmitamide

> <FORMULA>
C29H50N2O3

> <MASS>
474.71890

> <MONOISOTOPIC_MASS>
474.38214

> <CHARGE>
0

> <SMILES>
CCCCCCCCCCCCCCCC(=O)NC(CN1CCOCC1)C(O)c1ccccc1

> <INCHI>
InChI=1S/C29H50N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-28(32)30-27(25-31-21-23-34-24-22-31)29(33)26-18-15-14-16-19-26/h14-16,18-19,27,29,33H,2-13,17,20-25H2,1H3,(H,30,32)

> <INCHIKEY>
OFBANDBMHLEMFA-UHFFFAOYSA-N

$$$$