1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide

C16H20N2O — CID 47162656

IUPAC1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(C#N)CCCC2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-12-5-6-14(13(2)9-12)10-18-15(19)16(11-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyGTNWLHIUJMTSMH-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.00
Rot. Bonds3

About 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide

1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 47162656) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID47162656
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide
SMILESCc1ccc(CNC(=O)C2(C#N)CCCC2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-12-5-6-14(13(2)9-12)10-18-15(19)16(11-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,19)
InChIKeyGTNWLHIUJMTSMH-UHFFFAOYSA-N
XLogP3.00
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-methylphenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183329
1-cyano-N-[(2-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181583
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
1-cyano-N-[[2-(hydroxymethyl)phenyl]methyl]cyclohexane-1-carboxamide
CID 110908761
N-[(5-chloro-2-fluorophenyl)methyl]-1-cyanocyclobutane-1-carboxamide
CID 115183319
N-[(4-chlorophenyl)methyl]-1-cyanocyclopentane-1-carboxamide
CID 47121122
1-cyano-N-[2-(3-methylphenyl)ethyl]cyclobutane-1-carboxamide
CID 78994342
1-cyano-N-[(6-methyl-3-pyridinyl)methyl]cyclohexane-1-carboxamide
CID 61461590
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
3-[(2,4-dimethylphenyl)methylcarbamoyl]oxetane-3-carboxylic acid
CID 115184980
1-cyano-N-[(3-methyl-2-pyridinyl)methyl]cyclobutane-1-carboxamide
CID 78995295
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
CID 47117713

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide (CID 47162656) is 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide is Cc1ccc(CNC(=O)C2(C#N)CCCC2)c(C)c1.
What is the InChIKey of 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is GTNWLHIUJMTSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-6-14(13(2)9-12)10-18-15(19)16(11-17)7-3-4-8-16/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,18,19).
What are the key properties of 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide?
1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(2,4-dimethylphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 47162656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).