Chemical Components in the PDB

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T9V : Summary

Code

T9V

One-letter code

X

Molecule name

N-(4-methoxyphenyl)acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(4-methoxyphenyl)acetamide
OpenEye OEToolkits 2.0.7 ~{N}-(4-methoxyphenyl)ethanamide

Formula

C9 H11 N O2

Formal charge

0

Molecular weight

165.189 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 c1cc(ccc1OC)NC(=O)C
SMILES CACTVS 3.385 COc1ccc(NC(C)=O)cc1
SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccc(cc1)OC
Canonical SMILES CACTVS 3.385 COc1ccc(NC(C)=O)cc1
Canonical SMILES OpenEye OEToolkits 2.0.7 CC(=O)Nc1ccc(cc1)OC

IUPAC InChI

InChI=1S/C9H11NO2/c1-7(11)10-8-3-5-9(12-2)6-4-8/h3-6H,1-2H3,(H,10,11)

IUPAC InChI key

XVAIDCNLVLTVFM-UHFFFAOYSA-N
T9V

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-03-18

Last modified at

2020-06-05

Status

Released

Obsoleted

Not Assigned