N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide

C18H22N2O2 — CID 87017526

IUPACN-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NC2(C#N)CCCC2)c1
InChIInChI=1S/C18H22N2O2/c1-13-5-6-14(2)15(11-13)16(21)7-8-17(22)20-18(12-19)9-3-4-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,22)
InChIKeyFFFWSKQSCXKLKE-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.22
Rot. Bonds5

About N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide

N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide (PubChem CID 87017526) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
PubChem CID87017526
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide
SMILESCc1ccc(C)c(C(=O)CCC(=O)NC2(C#N)CCCC2)c1
InChIInChI=1S/C18H22N2O2/c1-13-5-6-14(2)15(11-13)16(21)7-8-17(22)20-18(12-19)9-3-4-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,22)
InChIKeyFFFWSKQSCXKLKE-UHFFFAOYSA-N
XLogP3.22
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide 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

[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 7213043
1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-N,N-diethylcyclohexane-1-carboxamide
CID 55981090
N-(1-cyanocyclohexyl)-2-(2,4-dimethylanilino)acetamide
CID 51183021
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
3-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]thiolane-3-carboxylic acid
CID 120688537
N-(1-cyanocyclopentyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 86913584
N-(1-cyanocycloheptyl)-2-fluoro-5-methylbenzamide
CID 62514137
[1-(cyanomethyl)cyclobutyl] 4-(2,5-dimethylphenyl)-4-oxobutanoate
CID 166212963
N-(1-cyano-4-ethylcyclohexyl)-2,5-dimethylbenzamide
CID 61118969
methyl 1-[[4-(2,5-dimethylphenyl)-4-oxobutanoyl]amino]-4-methylcyclohexane-1-carboxylate
CID 55979639
N-(4-cyanooxan-4-yl)-2-(2,5-dimethylphenyl)acetamide
CID 18710449
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The IUPAC name of N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide (CID 87017526) is N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide.
What is the SMILES notation for N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The canonical SMILES for N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide is Cc1ccc(C)c(C(=O)CCC(=O)NC2(C#N)CCCC2)c1.
What is the InChIKey of N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
The InChIKey is FFFWSKQSCXKLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-5-6-14(2)15(11-13)16(21)7-8-17(22)20-18(12-19)9-3-4-10-18/h5-6,11H,3-4,7-10H2,1-2H3,(H,20,22).
What are the key properties of N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide?
N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide has a molecular weight of 298.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclopentyl)-4-(2,5-dimethylphenyl)-4-oxobutanamide is sourced from PubChem (CID 87017526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).