2-cyano-3-(3-methylphenyl)-N-phenylpropanamide

C17H16N2O — CID 82122389

IUPAC2-cyano-3-(3-methylphenyl)-N-phenylpropanamide
SMILESCc1cccc(CC(C#N)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H16N2O/c1-13-6-5-7-14(10-13)11-15(12-18)17(20)19-16-8-3-2-4-9-16/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeyPTSMINACQKBFHP-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.32
Rot. Bonds4

About 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide

2-cyano-3-(3-methylphenyl)-N-phenylpropanamide (PubChem CID 82122389) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(3-methylphenyl)-N-phenylpropanamide
PubChem CID82122389
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-cyano-3-(3-methylphenyl)-N-phenylpropanamide
SMILESCc1cccc(CC(C#N)C(=O)Nc2ccccc2)c1
InChIInChI=1S/C17H16N2O/c1-13-6-5-7-14(10-13)11-15(12-18)17(20)19-16-8-3-2-4-9-16/h2-10,15H,11H2,1H3,(H,19,20)
InChIKeyPTSMINACQKBFHP-UHFFFAOYSA-N
XLogP3.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-3-(4-methoxyphenyl)-N-phenylpropanamide
CID 15168845
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
(2S)-2-amino-N-(3-methylphenyl)-3-phenylpropanamide
CID 22691206
2-(3-methylphenyl)-N-phenylacetamide
CID 6470005
2-[2-(3-methylphenyl)ethylamino]-N-phenylpropanamide
CID 62314821
3-(3-methylphenyl)-N-phenyl-2-(2H-tetrazol-5-yl)propanamide
CID 3170996
2-[(3-methylphenyl)methyl]-3-oxo-3-piperidin-1-ylpropanenitrile
CID 82120552
(2S)-3-(3-methylphenyl)-N-phenyl-2-(1,2,3-triaza-4-azanidacyclopenta-2,5-dien-5-yl)propanamide
CID 7119925
(2S)-2-cyano-5-methyl-N-(3-methylphenyl)-3-oxohexanamide
CID 98450088
2-[2-(3-methylphenyl)acetyl]propanedinitrile
CID 123474618
2-cyano-N-(3,5-dimethylphenyl)-N'-(3-methylphenyl)propanediamide
CID 144523280
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide?
The IUPAC name of 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide (CID 82122389) is 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide.
What is the SMILES notation for 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide?
The canonical SMILES for 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide is Cc1cccc(CC(C#N)C(=O)Nc2ccccc2)c1.
What is the InChIKey of 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide?
The InChIKey is PTSMINACQKBFHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-6-5-7-14(10-13)11-15(12-18)17(20)19-16-8-3-2-4-9-16/h2-10,15H,11H2,1H3,(H,19,20).
What are the key properties of 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide?
2-cyano-3-(3-methylphenyl)-N-phenylpropanamide has a molecular weight of 264.33 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(3-methylphenyl)-N-phenylpropanamide is sourced from PubChem (CID 82122389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).