Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

WBB : Summary

Code

WBB

One-letter code

X

Molecule name

N-methoxy-2-(2-methylphenyl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-methoxy-2-(2-methylphenyl)acetamide
OpenEye OEToolkits 2.0.7 ~{N}-methoxy-2-(2-methylphenyl)ethanamide

Formula

C10 H13 N O2

Formal charge

0

Molecular weight

179.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Cc1ccccc1C)NOC
SMILES CACTVS 3.385 CONC(=O)Cc1ccccc1C
SMILES OpenEye OEToolkits 2.0.7 Cc1ccccc1CC(=O)NOC
Canonical SMILES CACTVS 3.385 CONC(=O)Cc1ccccc1C
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1ccccc1CC(=O)NOC

IUPAC InChI

InChI=1S/C10H13NO2/c1-8-5-3-4-6-9(8)7-10(12)11-13-2/h3-6H,7H2,1-2H3,(H,11,12)

IUPAC InChI key

MUOXRMCJWFCWQP-UHFFFAOYSA-N
WBB

wwPDB Information

Atom count

26 (13 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-09-02

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned