2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide

C14H18N2O — CID 82115695

IUPAC2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccc(CC(C#N)C(=O)NC(C)C)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)16-14(17)13(9-15)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8H2,1-3H3,(H,16,17)
InChIKeyKOWWMHFCGGLSPO-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.20
Rot. Bonds4

About 2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide

2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide (PubChem CID 82115695) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is 2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
PubChem CID82115695
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
SMILESCc1ccc(CC(C#N)C(=O)NC(C)C)cc1
InChIInChI=1S/C14H18N2O/c1-10(2)16-14(17)13(9-15)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8H2,1-3H3,(H,16,17)
InChIKeyKOWWMHFCGGLSPO-UHFFFAOYSA-N
XLogP2.20
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82119393
3-(4-bromophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82124577
N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
CID 82118130
2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide
CID 82120555
2-cyano-3-(4-methylphenyl)propanamide
CID 121217853
2-[(4-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82117724
(2S)-2-cyano-N-(2-methoxyphenyl)-3-(4-methylphenyl)propanamide
CID 763342
2-cyano-3-(4-propan-2-ylphenyl)-N-propylpropanamide
CID 112510646
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
2-cyano-3-phenyl-N-(1-thiophen-3-ylethyl)propanamide
CID 62843528
2-cyano-N-(5-methyl-2-pyridinyl)-3-pyridin-4-ylpropanamide
CID 4674478
tert-butyl N-[(1S)-1-cyano-2-(4-methylphenyl)ethyl]carbamate
CID 138645608

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide (CID 82115695) is 2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide is Cc1ccc(CC(C#N)C(=O)NC(C)C)cc1.
What is the InChIKey of 2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide?
The InChIKey is KOWWMHFCGGLSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-10(2)16-14(17)13(9-15)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8H2,1-3H3,(H,16,17).
What are the key properties of 2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide?
2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide has a molecular weight of 230.31 g/mol, XLogP of 2.20, 4 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)-N-propan-2-ylpropanamide is sourced from PubChem (CID 82115695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).