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

C16H20N2O — CID 82120555

IUPAC2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(C#N)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N2O/c1-12-6-8-13(9-7-12)10-14(11-17)16(19)18-15-4-2-3-5-15/h6-9,14-15H,2-5,10H2,1H3,(H,18,19)
InChIKeyLQXMOCSRJRBDCQ-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.74
Rot. Bonds4

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

2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide (PubChem CID 82120555) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound Name2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide
PubChem CID82120555
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide
SMILESCc1ccc(CC(C#N)C(=O)NC2CCCC2)cc1
InChIInChI=1S/C16H20N2O/c1-12-6-8-13(9-7-12)10-14(11-17)16(19)18-15-4-2-3-5-15/h6-9,14-15H,2-5,10H2,1H3,(H,18,19)
InChIKeyLQXMOCSRJRBDCQ-UHFFFAOYSA-N
XLogP2.74
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyano-3-(4-methylphenyl)-N-propan-2-ylpropanamide
CID 82115695
N-tert-butyl-2-cyano-3-(4-methylphenyl)propanamide
CID 82118130
2-cyano-N-(3-methylcyclopentyl)-3-phenylpropanamide
CID 114546508
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735
2-[(4-methylphenyl)methyl]-3-oxo-3-pyrrolidin-1-ylpropanenitrile
CID 82117724
3-(4-chlorophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82119393
N-[2-(cyclopentylamino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112990904
3-(4-bromophenyl)-2-cyano-N-propan-2-ylpropanamide
CID 82124577
4-[[2-methyl-3-(4-methylphenyl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120687281
(2R)-N-cyclohexyl-2-[[2-(4-methylphenyl)acetyl]-[(4-methylphenyl)methyl]amino]-3-phenylpropanamide
CID 100589536
N'-cycloheptyl-N-[(4-methylphenyl)methyl]propanediamide
CID 108945749
(2R)-2-[benzyl-[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 100571650

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide?
The IUPAC name of 2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide (CID 82120555) is 2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide.
What is the SMILES notation for 2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide?
The canonical SMILES for 2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide is Cc1ccc(CC(C#N)C(=O)NC2CCCC2)cc1.
What is the InChIKey of 2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide?
The InChIKey is LQXMOCSRJRBDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-6-8-13(9-7-12)10-14(11-17)16(19)18-15-4-2-3-5-15/h6-9,14-15H,2-5,10H2,1H3,(H,18,19).
What are the key properties of 2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide?
2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide has a molecular weight of 256.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-cyclopentyl-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 82120555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).