Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

ZG0 : Summary

Code

ZG0

One-letter code

X

Molecule name

N-(3-methylphenyl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(3-methylphenyl)acetamide
OpenEye OEToolkits 2.0.7 ~{N}-(3-methylphenyl)ethanamide

Formula

C9 H11 N O

Formal charge

0

Molecular weight

149.19 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(C)Nc1cc(C)ccc1
SMILES CACTVS 3.385 CC(=O)Nc1cccc(C)c1
SMILES OpenEye OEToolkits 2.0.7 Cc1cccc(c1)NC(=O)C
Canonical SMILES CACTVS 3.385 CC(=O)Nc1cccc(C)c1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cccc(c1)NC(=O)C

IUPAC InChI

InChI=1S/C9H11NO/c1-7-4-3-5-9(6-7)10-8(2)11/h3-6H,1-2H3,(H,10,11)

IUPAC InChI key

ALMHSXDYCFOZQD-UHFFFAOYSA-N
ZG0

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2023-06-23

Last modified at

2023-07-07

Status

Released

Obsoleted

Not Assigned