2-cyano-3-(4-methylphenyl)propanamide

C11H12N2O — CID 121217853

IUPAC2-cyano-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(C#N)C(N)=O)cc1
InChIInChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-5,10H,6H2,1H3,(H2,13,14)
InChIKeyAWPSWADFGVJYCO-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.16
Rot. Bonds3

About 2-cyano-3-(4-methylphenyl)propanamide

2-cyano-3-(4-methylphenyl)propanamide (PubChem CID 121217853) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-cyano-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-3-(4-methylphenyl)propanamide
PubChem CID121217853
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name2-cyano-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(C#N)C(N)=O)cc1
InChIInChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-5,10H,6H2,1H3,(H2,13,14)
InChIKeyAWPSWADFGVJYCO-UHFFFAOYSA-N
XLogP1.16
TPSA66.88 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-3-[4-(dimethylamino)phenyl]propanamide
CID 3145868
2-cyano-3-(4-nitrophenyl)propanamide
CID 23829421
2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
CID 82115695
N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
CID 82118130
2-[(4-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82117724
2-amino-3-(4-methylphenyl)propanamide
CID 18981163
2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 82120555
2-(methylamino)-3-(4-methylphenyl)propanamide
CID 59568547
(2S)-2-(hydroxymethyl)-3-(4-methylphenyl)propanenitrile
CID 95032279
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
2-cyano-3-(4-cyanophenyl)propanoic acid
CID 91646199

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-methylphenyl)propanamide?
The IUPAC name of 2-cyano-3-(4-methylphenyl)propanamide (CID 121217853) is 2-cyano-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-cyano-3-(4-methylphenyl)propanamide?
The canonical SMILES for 2-cyano-3-(4-methylphenyl)propanamide is Cc1ccc(CC(C#N)C(N)=O)cc1.
What is the InChIKey of 2-cyano-3-(4-methylphenyl)propanamide?
The InChIKey is AWPSWADFGVJYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-8-2-4-9(5-3-8)6-10(7-12)11(13)14/h2-5,10H,6H2,1H3,(H2,13,14).
What are the key properties of 2-cyano-3-(4-methylphenyl)propanamide?
2-cyano-3-(4-methylphenyl)propanamide has a molecular weight of 188.23 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 121217853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).