3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide

C17H17N3O — CID 109034224

IUPAC3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H17N3O/c1-13-3-2-4-16(11-13)20-17(21)9-10-19-15-7-5-14(12-18)6-8-15/h2-8,11,19H,9-10H2,1H3,(H,20,21)
InChIKeyLBQXLPAGPBNGPZ-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.31
Rot. Bonds5

About 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide

3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide (PubChem CID 109034224) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
PubChem CID109034224
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide
SMILESCc1cccc(NC(=O)CCNc2ccc(C#N)cc2)c1
InChIInChI=1S/C17H17N3O/c1-13-3-2-4-16(11-13)20-17(21)9-10-19-15-7-5-14(12-18)6-8-15/h2-8,11,19H,9-10H2,1H3,(H,20,21)
InChIKeyLBQXLPAGPBNGPZ-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide 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-(3-bromophenyl)-3-(4-cyanoanilino)propanamide
CID 109042157
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
3-(3-acetylanilino)-N-(4-cyanophenyl)propanamide
CID 109040980
3-(4-ethylanilino)-N-(3-methylphenyl)propanamide
CID 109034139
3-(4-acetamidoanilino)-N-(4-cyanophenyl)propanamide
CID 109041283
3-(3,4-difluoroanilino)-N-(3-methylphenyl)propanamide
CID 109034228
N-(4-cyanophenyl)-3-(2,4-dimethylanilino)propanamide
CID 109035242
3-(4-cyanoanilino)-N-(3,4-dimethoxyphenyl)propanamide
CID 109040577
3-(4-bromo-3-methylanilino)-N-(4-cyanophenyl)propanamide
CID 109042257
2-(5-cyano-2-methylanilino)-N-(3-methylphenyl)acetamide
CID 62060345
methyl 3-[[3-(4-cyanoanilino)-3-oxopropyl]amino]benzoate
CID 109041463

Frequently Asked Questions

What is the IUPAC name of 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide (CID 109034224) is 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide is Cc1cccc(NC(=O)CCNc2ccc(C#N)cc2)c1.
What is the InChIKey of 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide?
The InChIKey is LBQXLPAGPBNGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-13-3-2-4-16(11-13)20-17(21)9-10-19-15-7-5-14(12-18)6-8-15/h2-8,11,19H,9-10H2,1H3,(H,20,21).
What are the key properties of 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide?
3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide has a molecular weight of 279.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-cyanoanilino)-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 109034224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).