2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide

C14H19N3O — CID 54936321

IUPAC2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)17(3)14(18)10-16-9-13-6-4-12(8-15)5-7-13/h4-7,11,16H,9-10H2,1-3H3
InChIKeyXNHXVJKKDHHLQJ-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.51
Rot. Bonds5

About 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide

2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide (PubChem CID 54936321) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
PubChem CID54936321
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
SMILESCC(C)N(C)C(=O)CNCc1ccc(C#N)cc1
InChIInChI=1S/C14H19N3O/c1-11(2)17(3)14(18)10-16-9-13-6-4-12(8-15)5-7-13/h4-7,11,16H,9-10H2,1-3H3
InChIKeyXNHXVJKKDHHLQJ-UHFFFAOYSA-N
XLogP1.51
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-fluorophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide
CID 28581707
2-(2-bromo-4-cyanoanilino)-N-methyl-N-propan-2-ylacetamide
CID 107789738
N-carbamoyl-2-[(4-cyanophenyl)methylamino]acetamide
CID 54936182
2-[4-(cyanomethyl)anilino]-N-methyl-N-propan-2-ylacetamide
CID 55024751
4-[[(4-cyanophenyl)methylamino]methyl]benzonitrile;hydrochloride
CID 44629811
1-[(4-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47216081
4-[[[(3S)-3-hydroxybutyl]amino]methyl]benzonitrile
CID 96500057
2-[[4-(3-hydroxyprop-1-ynyl)phenyl]methylamino]-N,N-dimethylacetamide
CID 131900582
2-[(4-cyanophenyl)methylamino]-N-(2-methylphenyl)acetamide
CID 60918679
(2R)-2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
CID 93355745
2-[(4-cyanophenyl)methylamino]-N-methylpropanamide
CID 60918903
N-[(4-cyanophenyl)methyl]-N-methyl-2-(prop-2-enylamino)acetamide
CID 79285400

Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide (CID 54936321) is 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide is CC(C)N(C)C(=O)CNCc1ccc(C#N)cc1.
What is the InChIKey of 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is XNHXVJKKDHHLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-11(2)17(3)14(18)10-16-9-13-6-4-12(8-15)5-7-13/h4-7,11,16H,9-10H2,1-3H3.
What are the key properties of 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide?
2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 245.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyanophenyl)methylamino]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 54936321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).