Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

LQZ : Summary

Code

LQZ

One-letter code

X

Molecule name

2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide

Systematic names

ProgramVersionName
ACDLabs 11.02 N-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide
OpenEye OEToolkits 1.6.1 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide

Formula

C14 H22 N2 O

Formal charge

0

Molecular weight

234.337 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 11.02 O=C(Nc1c(cccc1C)C)CN(CC)CC
SMILES CACTVS 3.352 CCN(CC)CC(=O)Nc1c(C)cccc1C
SMILES OpenEye OEToolkits 1.7.0 CCN(CC)CC(=O)Nc1c(cccc1C)C
Canonical SMILES CACTVS 3.352 CCN(CC)CC(=O)Nc1c(C)cccc1C
Canonical SMILES OpenEye OEToolkits 1.7.0 CCN(CC)CC(=O)Nc1c(cccc1C)C

IUPAC InChI

InChI=1S/C14H22N2O/c1-5-16(6-2)10-13(17)15-14-11(3)8-7-9-12(14)4/h7-9H,5-6,10H2,1-4H3,(H,15,17)

IUPAC InChI key

NNJVILVZKWQKPM-UHFFFAOYSA-N
LQZ

wwPDB Information

Atom count

39 (17 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2009-09-10

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned