N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide

C16H20N2O — CID 104917093

IUPACN-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCCC1(C)C)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O/c1-16(2)9-5-8-14(16)15(19)18(3)13-7-4-6-12(10-13)11-17/h4,6-7,10,14H,5,8-9H2,1-3H3
InChIKeyVFKUFMDFOWONAT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.35
Rot. Bonds2

About N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide

N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide (PubChem CID 104917093) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide
PubChem CID104917093
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide
SMILESCN(C(=O)C1CCCC1(C)C)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O/c1-16(2)9-5-8-14(16)15(19)18(3)13-7-4-6-12(10-13)11-17/h4,6-7,10,14H,5,8-9H2,1-3H3
InChIKeyVFKUFMDFOWONAT-UHFFFAOYSA-N
XLogP3.35
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-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-(3-cyanophenyl)-N-methylcycloheptanecarboxamide
CID 62780707
N-(3-cyanophenyl)-N,2-dimethylpiperidine-2-carboxamide
CID 104596774
N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65156211
N-(3-cyanophenyl)-N-methylazepane-1-carboxamide
CID 79152194
N-[4-(aminomethyl)phenyl]-N,2,2-trimethylcyclohexane-1-carboxamide
CID 107174541
N,2,2-trimethyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 107182878
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120278
N-(2-amino-4-cyanophenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107174932
N-[(4-cyanophenyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 104916891
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The IUPAC name of N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide (CID 104917093) is N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide is CN(C(=O)C1CCCC1(C)C)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
The InChIKey is VFKUFMDFOWONAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-16(2)9-5-8-14(16)15(19)18(3)13-7-4-6-12(10-13)11-17/h4,6-7,10,14H,5,8-9H2,1-3H3.
What are the key properties of N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide?
N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N,2,2-trimethylcyclopentane-1-carboxamide is sourced from PubChem (CID 104917093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).