2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide

C15H20ClN3O — CID 86911542

IUPAC2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CCC#N)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-12(15(20)18(2)10-6-9-17)19(3)11-13-7-4-5-8-14(13)16/h4-5,7-8,12H,6,10-11H2,1-3H3
InChIKeyWDXDJOITPNHOAX-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.53
Rot. Bonds6

About 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide

2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide (PubChem CID 86911542) has the molecular formula C15H20ClN3O and a molecular weight of 293.80 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
PubChem CID86911542
Molecular FormulaC15H20ClN3O
Molecular Weight293.80 g/mol
Exact Mass293.13
IUPAC Name2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide
SMILESCC(C(=O)N(C)CCC#N)N(C)Cc1ccccc1Cl
InChIInChI=1S/C15H20ClN3O/c1-12(15(20)18(2)10-6-9-17)19(3)11-13-7-4-5-8-14(13)16/h4-5,7-8,12H,6,10-11H2,1-3H3
InChIKeyWDXDJOITPNHOAX-UHFFFAOYSA-N
XLogP2.53
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-2-[(3,4-dichlorophenyl)methyl-methylamino]-N-methylpropanamide
CID 78826410
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696457
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
5-[(2-chlorophenyl)methyl-methylamino]pentanenitrile
CID 60692186
2-[1-(2-chlorophenyl)ethyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60965369
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 86918903
2-[(2-chlorophenyl)methyl-methylamino]-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylpropanamide
CID 55439456
N-[(2-chlorophenyl)methyl]-N,2-dimethylpropanamide;ethane
CID 143072453
2-[(2-chlorophenyl)methyl-methylamino]propanenitrile
CID 60646463
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(2-cyanoethyl)-N-methylpropanamide
CID 86909810
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-cyanocyclohexyl)propanamide
CID 18078808
2-[(2-chlorophenyl)methyl-methylamino]-N-(1-phenylethyl)propanamide
CID 46801717

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide (CID 86911542) is 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide is CC(C(=O)N(C)CCC#N)N(C)Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide?
The InChIKey is WDXDJOITPNHOAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O/c1-12(15(20)18(2)10-6-9-17)19(3)11-13-7-4-5-8-14(13)16/h4-5,7-8,12H,6,10-11H2,1-3H3.
What are the key properties of 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide?
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide has a molecular weight of 293.80 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylpropanamide is sourced from PubChem (CID 86911542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).