2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide

C17H16N2O2 — CID 15168845

IUPAC2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
SMILESCOc1ccc(CC(C#N)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-21-16-9-7-13(8-10-16)11-14(12-18)17(20)19-15-5-3-2-4-6-15/h2-10,14H,11H2,1H3,(H,19,20)
InChIKeyOEDDQQBCXQOMRR-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.02
Rot. Bonds5

About 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide

2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide (PubChem CID 15168845) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
PubChem CID15168845
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
SMILESCOc1ccc(CC(C#N)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C17H16N2O2/c1-21-16-9-7-13(8-10-16)11-14(12-18)17(20)19-15-5-3-2-4-6-15/h2-10,14H,11H2,1H3,(H,19,20)
InChIKeyOEDDQQBCXQOMRR-UHFFFAOYSA-N
XLogP3.02
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide 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

(2R)-2-cyano-N-(2-ethoxyphenyl)-3-(4-methoxyphenyl)propanamide
CID 5413283
(2S)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)propanamide
CID 763346
2-cyano-3-(3-methylphenyl)-N-phenylpropanamide
CID 82122389
(2S,3R)-4-anilino-3-[(4-methoxyphenyl)methyl]-2-methyl-4-oxobutanoic acid
CID 768545
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
2-cyano-N-(4-ethoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3313060
2-benzyl-N-(4-methoxyphenyl)-3-sulfanylpropanamide
CID 19904478
(2R)-2-cyano-3-(3,5-dimethoxyphenyl)-3-oxo-N-phenylpropanamide
CID 98450161
(3R)-3-benzyl-4-(4-methoxyanilino)-4-oxobutanoate
CID 6936206
2-cyano-N-(2-methoxyphenyl)-3-pyridin-4-ylpropanamide
CID 3169981
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide?
The IUPAC name of 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide (CID 15168845) is 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide.
What is the SMILES notation for 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide?
The canonical SMILES for 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide is COc1ccc(CC(C#N)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide?
The InChIKey is OEDDQQBCXQOMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-21-16-9-7-13(8-10-16)11-14(12-18)17(20)19-15-5-3-2-4-6-15/h2-10,14H,11H2,1H3,(H,19,20).
What are the key properties of 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide?
2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide has a molecular weight of 280.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide is sourced from PubChem (CID 15168845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).