Chemical Components in the PDB

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B0A : Summary

Code

B0A

One-letter code

X

Molecule name

~{N}-cyclohexyl-2-phenoxy-ethanamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 ~{N}-cyclohexyl-2-phenoxy-ethanamide

Formula

C14 H19 N O2

Formal charge

0

Molecular weight

233.306 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 O=C(COc1ccccc1)NC2CCCCC2
SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)OCC(=O)NC2CCCCC2
Canonical SMILES CACTVS 3.385 O=C(COc1ccccc1)NC2CCCCC2
Canonical SMILES OpenEye OEToolkits 2.0.6 c1ccc(cc1)OCC(=O)NC2CCCCC2

IUPAC InChI

InChI=1S/C14H19NO2/c16-14(15-12-7-3-1-4-8-12)11-17-13-9-5-2-6-10-13/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H,15,16)

IUPAC InChI key

CQWWLWGATIFQLU-UHFFFAOYSA-N
B0A

wwPDB Information

Atom count

36 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-07-28

Last modified at

2018-08-03

Status

Released

Obsoleted

Not Assigned