Chemical Components in the PDB

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20N : Summary

Code

20N

One-letter code

X

Molecule name

N-[4-(acetylamino)phenyl]cyclopropanecarboxamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[4-(acetylamino)phenyl]cyclopropanecarboxamide
OpenEye OEToolkits 1.7.6 N-(4-acetamidophenyl)cyclopropanecarboxamide

Formula

C12 H14 N2 O2

Formal charge

0

Molecular weight

218.252 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Nc1ccc(NC(=O)C)cc1)C2CC2
SMILES CACTVS 3.385 CC(=O)Nc1ccc(NC(=O)C2CC2)cc1
SMILES OpenEye OEToolkits 1.7.6 CC(=O)Nc1ccc(cc1)NC(=O)C2CC2
Canonical SMILES CACTVS 3.385 CC(=O)Nc1ccc(NC(=O)C2CC2)cc1
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)Nc1ccc(cc1)NC(=O)C2CC2

IUPAC InChI

InChI=1S/C12H14N2O2/c1-8(15)13-10-4-6-11(7-5-10)14-12(16)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,13,15)(H,14,16)

IUPAC InChI key

XJFJFROTOPBZCO-UHFFFAOYSA-N
20N

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2013-08-13

Last modified at

2013-09-20

Status

Released

Obsoleted

Not Assigned