2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide

C14H18ClN3O — CID 60696496

IUPAC2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CC(=O)N(C)CCC#N)Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-17(10-12-5-3-6-13(15)9-12)11-14(19)18(2)8-4-7-16/h3,5-6,9H,4,8,10-11H2,1-2H3
InChIKeyPGOLDWOGXWUCFO-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.14
Rot. Bonds6

About 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide

2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 60696496) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID60696496
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC Name2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CC(=O)N(C)CCC#N)Cc1cccc(Cl)c1
InChIInChI=1S/C14H18ClN3O/c1-17(10-12-5-3-6-13(15)9-12)11-14(19)18(2)8-4-7-16/h3,5-6,9H,4,8,10-11H2,1-2H3
InChIKeyPGOLDWOGXWUCFO-UHFFFAOYSA-N
XLogP2.14
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 43214055
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696457
N,N-bis(2-cyanoethyl)-2-[(3-fluorophenyl)methyl-methylamino]acetamide
CID 86911190
N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-[methyl(thiophen-3-ylmethyl)amino]acetamide
CID 41303395
2-[2-aminoethyl(methyl)amino]-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 62688638
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
2-[(3-chlorophenyl)methyl-methylamino]-N,N-di(propan-2-yl)acetamide
CID 78790298
2-[(3-chlorophenyl)methyl-methylamino]acetonitrile
CID 60699809
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60691148
1-[(3-chlorophenyl)methyl-methylamino]-3-methylbutan-2-one
CID 79395557

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide (CID 60696496) is 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide is CN(CC(=O)N(C)CCC#N)Cc1cccc(Cl)c1.
What is the InChIKey of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is PGOLDWOGXWUCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-17(10-12-5-3-6-13(15)9-12)11-14(19)18(2)8-4-7-16/h3,5-6,9H,4,8,10-11H2,1-2H3.
What are the key properties of 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 279.77 g/mol, XLogP of 2.14, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 60696496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).