Chemical Components in the PDB

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N4E : Summary

Code

N4E

One-letter code

X

Molecule name

N-(4-ethoxyphenyl)acetamide

Synonyms

phenacetin

Systematic names

ProgramVersionName
ACDLabs 10.04 N-(4-ethoxyphenyl)acetamide
OpenEye OEToolkits 1.5.0 N-(4-ethoxyphenyl)ethanamide

Formula

C10 H13 N O2

Formal charge

0

Molecular weight

179.216 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Nc1ccc(OCC)cc1)C
SMILES CACTVS 3.341 CCOc1ccc(NC(C)=O)cc1
SMILES OpenEye OEToolkits 1.5.0 CCOc1ccc(cc1)NC(=O)C
Canonical SMILES CACTVS 3.341 CCOc1ccc(NC(C)=O)cc1
Canonical SMILES OpenEye OEToolkits 1.5.0 CCOc1ccc(cc1)NC(=O)C

IUPAC InChI

InChI=1S/C10H13NO2/c1-3-13-10-6-4-9(5-7-10)11-8(2)12/h4-7H,3H2,1-2H3,(H,11,12)

IUPAC InChI key

CPJSUEIXXCENMM-UHFFFAOYSA-N
N4E

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

2008-09-04

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned