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- ChemComp-LQZ: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide -

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Basic information

EntryDatabase: PDB chemical components / ID: LQZ
NameName: 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide

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Chemical information

Composition
Formula: C14H22N2O / Number of atoms: 39 / Formula weight: 234.337 / Formal charge: 0
Others

3jqz

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: LQZ / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3JQZ
History
Create componentSep 10, 2009
Modify aromatic flagJun 4, 2011
Modify descriptorJun 4, 2011
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

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

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SMILES CANONICAL

CACTVS 3.352CCN(CC)CC(=O)Nc1c(C)cccc1C
OpenEye OEToolkits 1.7.0CCN(CC)CC(=O)Nc1c(cccc1C)C

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InChI

InChI 1.03InChI=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)

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InChIKey

InChI 1.03NNJVILVZKWQKPM-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 11.02N-(2,6-dimethylphenyl)-N~2~,N~2~-diethylglycinamide
OpenEye OEToolkits 1.6.12-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide

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PDB entries

Showing all 3 items

PDB-3jqz:
Crystal Structure of Human serum albumin complexed with Lidocaine

PDB-3ttr:
Crystal structure of C-lobe of bovine lactoferrin complexed with Lidocaine at 2.27 A resolution

PDB-8h6n:
Crystal structure of SARS-CoV-2 main protease (Mpro) Mutant (T21I) in complex with protease inhibitor Nirmatrelvir

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