Chemical Components in the PDB

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8C7 : Summary

Code

8C7

One-letter code

X

Molecule name

4-(cyclohexylmethoxy)benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-(cyclohexylmethoxy)benzamide

Formula

C14 H19 N O2

Formal charge

0

Molecular weight

233.306 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)c1ccc(OCC2CCCCC2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)N)OCC2CCCCC2
Canonical SMILES CACTVS 3.385 NC(=O)c1ccc(OCC2CCCCC2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)N)OCC2CCCCC2

IUPAC InChI

InChI=1S/C14H19NO2/c15-14(16)12-6-8-13(9-7-12)17-10-11-4-2-1-3-5-11/h6-9,11H,1-5,10H2,(H2,15,16)

IUPAC InChI key

MJTCIHDRDLBAGL-UHFFFAOYSA-N
8C7

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

2021-10-07

Last modified at

2022-08-22

Status

Released

Obsoleted

Not Assigned