15 14  0  0  0  0  0  0  0  0999 V2000
   15.1900  -16.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4024  -16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6149  -16.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8273  -16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0397  -16.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2522  -16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4646  -16.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6770  -16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8895  -16.2400    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1019  -16.9400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3144  -16.2400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0397  -14.8401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8125  -14.1315    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.2374  -14.1486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6770  -18.3399    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0     0  0
  2  3  1  0     0  0
  3  4  1  0     0  0
  4  5  1  0     0  0
  5  6  1  0     0  0
  6  7  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
  5 12  1  0     0  0
 12 13  2  0     0  0
 12 14  1  0     0  0
  8 15  2  0     0  0
M  END
> <ID>
CHEBI:81991

> <NAME>
Ethyl 3-(N-butylacetamido)propionate

> <STAR>
2

> <SYNONYM>
Ethyl butylacetylaminopropionate

> <FORMULA>
C11H21NO3

> <MASS>
215.28930

> <MONOISOTOPIC_MASS>
215.15214

> <CHARGE>
0

> <SMILES>
CCCCN(CCC(=O)OCC)C(C)=O

> <INCHI>
InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3

> <INCHIKEY>
VZRKEAFHFMSHCD-UHFFFAOYSA-N

> <CAS_REGISTRY_NUMBER>
52304-36-6

> <KEGG_COMPOUND_ACCESSION>
C18830

$$$$