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

C12H14N2O — CID 82112482

IUPAC3-cyano-2-methyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)CC#N)cc1
InChIInChI=1S/C12H14N2O/c1-9-3-5-11(6-4-9)14-12(15)10(2)7-8-13/h3-6,10H,7H2,1-2H3,(H,14,15)
InChIKeyGCZLIPQHXYEXNM-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.48
Rot. Bonds3

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

3-cyano-2-methyl-N-(4-methylphenyl)propanamide (PubChem CID 82112482) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 3-cyano-2-methyl-N-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-cyano-2-methyl-N-(4-methylphenyl)propanamide
PubChem CID82112482
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name3-cyano-2-methyl-N-(4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)C(C)CC#N)cc1
InChIInChI=1S/C12H14N2O/c1-9-3-5-11(6-4-9)14-12(15)10(2)7-8-13/h3-6,10H,7H2,1-2H3,(H,14,15)
InChIKeyGCZLIPQHXYEXNM-UHFFFAOYSA-N
XLogP2.48
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamidophenyl)-3-cyano-2-methylpropanamide
CID 82118259
3-cyano-N-(4-fluorophenyl)-2-methylpropanamide
CID 82112843
2,4-dimethyl-N-(4-methylphenyl)pentanamide
CID 170275837
2-cyano-3-cyclopropyl-N-(4-methylphenyl)-3-oxopropanamide
CID 47275544
2,4-diacetyl-N,N'-bis(4-methylphenyl)pentanediamide
CID 4227620
(2S)-N-[4-(cyanomethyl)phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 951509
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-[(2-cyanoacetyl)amino]benzoate
CID 7808218
2-(ethylamino)-N-(4-methylphenyl)propanamide
CID 3808367
(2S)-N-[4-(cyanomethyl)phenyl]-2-methylpentanamide
CID 94187740
(2S)-N-[4-(cyanomethyl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 9260795
2-bromo-3-methyl-N-(4-methylphenyl)butanamide
CID 24690960
[(2R)-3-hydroxy-1-(4-methylanilino)-1-oxopropan-2-yl]carbamic acid
CID 90743753

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-methyl-N-(4-methylphenyl)propanamide?
The IUPAC name of 3-cyano-2-methyl-N-(4-methylphenyl)propanamide (CID 82112482) is 3-cyano-2-methyl-N-(4-methylphenyl)propanamide.
What is the SMILES notation for 3-cyano-2-methyl-N-(4-methylphenyl)propanamide?
The canonical SMILES for 3-cyano-2-methyl-N-(4-methylphenyl)propanamide is Cc1ccc(NC(=O)C(C)CC#N)cc1.
What is the InChIKey of 3-cyano-2-methyl-N-(4-methylphenyl)propanamide?
The InChIKey is GCZLIPQHXYEXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-9-3-5-11(6-4-9)14-12(15)10(2)7-8-13/h3-6,10H,7H2,1-2H3,(H,14,15).
What are the key properties of 3-cyano-2-methyl-N-(4-methylphenyl)propanamide?
3-cyano-2-methyl-N-(4-methylphenyl)propanamide has a molecular weight of 202.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-methyl-N-(4-methylphenyl)propanamide is sourced from PubChem (CID 82112482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).