Chemical Components in the PDB

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8CI : Summary

Code

8CI

One-letter code

X

Molecule name

4-(cyclopentylmethoxy)benzamide

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-(cyclopentylmethoxy)benzamide

Formula

C13 H17 N O2

Formal charge

0

Molecular weight

219.28 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 NC(=O)c1ccc(OCC2CCCC2)cc1
SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)N)OCC2CCCC2
Canonical SMILES CACTVS 3.385 NC(=O)c1ccc(OCC2CCCC2)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 c1cc(ccc1C(=O)N)OCC2CCCC2

IUPAC InChI

InChI=1S/C13H17NO2/c14-13(15)11-5-7-12(8-6-11)16-9-10-3-1-2-4-10/h5-8,10H,1-4,9H2,(H2,14,15)

IUPAC InChI key

ONNDELCPTPJKGL-UHFFFAOYSA-N
8CI

wwPDB Information

Atom count

33 (16 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