Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

V73 : Summary

Code

V73

One-letter code

X

Molecule name

N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(2-hydroxyethyl)-N-methyl-2-phenylacetamide
OpenEye OEToolkits 2.0.7 ~{N}-(2-hydroxyethyl)-~{N}-methyl-2-phenyl-ethanamide

Formula

C11 H15 N O2

Formal charge

0

Molecular weight

193.242 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(Cc1ccccc1)N(C)CCO
SMILES CACTVS 3.385 CN(CCO)C(=O)Cc1ccccc1
SMILES OpenEye OEToolkits 2.0.7 CN(CCO)C(=O)Cc1ccccc1
Canonical SMILES CACTVS 3.385 CN(CCO)C(=O)Cc1ccccc1
Canonical SMILES OpenEye OEToolkits 2.0.7 CN(CCO)C(=O)Cc1ccccc1

IUPAC InChI

InChI=1S/C11H15NO2/c1-12(7-8-13)11(14)9-10-5-3-2-4-6-10/h2-6,13H,7-9H2,1H3

IUPAC InChI key

PWWHTAFTALYTRT-UHFFFAOYSA-N
V73

wwPDB Information

Atom count

29 (14 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2022-08-29

Last modified at

2022-10-28

Status

Released

Obsoleted

Not Assigned