2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide

C14H18BrN3O — CID 60691148

IUPAC2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CC(=O)N(C)CCC#N)Cc1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c1-17(10-12-6-3-4-7-13(12)15)11-14(19)18(2)9-5-8-16/h3-4,6-7H,5,9-11H2,1-2H3
InChIKeyOANSYJLHKZVEJK-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.25
Rot. Bonds6

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

2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide (PubChem CID 60691148) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
PubChem CID60691148
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
SMILESCN(CC(=O)N(C)CCC#N)Cc1ccccc1Br
InChIInChI=1S/C14H18BrN3O/c1-17(10-12-6-3-4-7-13(12)15)11-14(19)18(2)9-5-8-16/h3-4,6-7H,5,9-11H2,1-2H3
InChIKeyOANSYJLHKZVEJK-UHFFFAOYSA-N
XLogP2.25
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 60690747
2-[(2-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696457
N-(2-cyanoethyl)-N-methyl-2-[methyl(pyridin-3-ylmethyl)amino]acetamide
CID 43401677
N-(2-cyanoethyl)-N-methyl-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 43214055
3-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]propanoic acid
CID 60987110
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60696496
N-[(2-bromophenyl)methyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 78964341
N-[(2-bromophenyl)methyl]-2-[3-hydroxybutyl(methyl)amino]-N-methylacetamide
CID 111488423
N-[(2-bromophenyl)methyl]-N-methylpropan-1-amine
CID 60776921
N-(2-cyanoethyl)-N-(4-fluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 18126857
N-[(2-bromophenyl)methyl]-2-hydroxy-N-methylacetamide
CID 16769580
2-[[2-[(2-bromophenyl)methyl-methylamino]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 17481192

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide (CID 60691148) is 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide is CN(CC(=O)N(C)CCC#N)Cc1ccccc1Br.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
The InChIKey is OANSYJLHKZVEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-17(10-12-6-3-4-7-13(12)15)11-14(19)18(2)9-5-8-16/h3-4,6-7H,5,9-11H2,1-2H3.
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide?
2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide has a molecular weight of 324.22 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromophenyl)methyl-methylamino]-N-(2-cyanoethyl)-N-methylacetamide is sourced from PubChem (CID 60691148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).