2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide

C17H17N3O — CID 60917548

IUPAC2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCc2cccc(C#N)c2)cc1
InChIInChI=1S/C17H17N3O/c1-13-5-7-16(8-6-13)20-17(21)12-19-11-15-4-2-3-14(9-15)10-18/h2-9,19H,11-12H2,1H3,(H,20,21)
InChIKeyKHDFKLRSPOMRBW-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.60
Rot. Bonds5

About 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide

2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide (PubChem CID 60917548) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
PubChem CID60917548
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCc2cccc(C#N)c2)cc1
InChIInChI=1S/C17H17N3O/c1-13-5-7-16(8-6-13)20-17(21)12-19-11-15-4-2-3-14(9-15)10-18/h2-9,19H,11-12H2,1H3,(H,20,21)
InChIKeyKHDFKLRSPOMRBW-UHFFFAOYSA-N
XLogP2.60
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-bromophenyl)-2-[(3-cyanophenyl)methylamino]acetamide
CID 60919142
N-(4-cyanophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 108996859
2-[(3-cyanophenyl)methylamino]-N-methylacetamide
CID 43214956
(3-cyanophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588703
N-(4-bromophenyl)-2-[(3-methylphenyl)methylamino]acetamide
CID 60902471
3-[[(3,5-dimethylphenyl)methylamino]methyl]benzonitrile
CID 54980443
[2-(4-methylanilino)-2-oxoethyl] 3-cyanobenzoate
CID 2626209
N-(4-bromophenyl)-2-[(4-cyanophenyl)methylamino]acetamide
CID 60918337
N-(3-cyanophenyl)-2-(2-phenylethylamino)acetamide
CID 108999966
2-(3-cyanoanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 26438618
3-[[3-(4-methylphenoxy)propylamino]methyl]benzonitrile
CID 119107049
N-(3-cyanophenyl)-2-(3-phenylpropylamino)acetamide
CID 109005123

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide (CID 60917548) is 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CNCc2cccc(C#N)c2)cc1.
What is the InChIKey of 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide?
The InChIKey is KHDFKLRSPOMRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-5-7-16(8-6-13)20-17(21)12-19-11-15-4-2-3-14(9-15)10-18/h2-9,19H,11-12H2,1H3,(H,20,21).
What are the key properties of 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide?
2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide has a molecular weight of 279.34 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyanophenyl)methylamino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 60917548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).