N-(4-cyanocyclohexyl)-3-methoxybenzamide

C15H18N2O2 — CID 115270167

IUPACN-(4-cyanocyclohexyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCC(C#N)CC2)c1
InChIInChI=1S/C15H18N2O2/c1-19-14-4-2-3-12(9-14)15(18)17-13-7-5-11(10-16)6-8-13/h2-4,9,11,13H,5-8H2,1H3,(H,17,18)
InChIKeyNQIHQHZNYVGFDF-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.51
Rot. Bonds3

About N-(4-cyanocyclohexyl)-3-methoxybenzamide

N-(4-cyanocyclohexyl)-3-methoxybenzamide (PubChem CID 115270167) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-3-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-3-methoxybenzamide
PubChem CID115270167
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-cyanocyclohexyl)-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2CCC(C#N)CC2)c1
InChIInChI=1S/C15H18N2O2/c1-19-14-4-2-3-12(9-14)15(18)17-13-7-5-11(10-16)6-8-13/h2-4,9,11,13H,5-8H2,1H3,(H,17,18)
InChIKeyNQIHQHZNYVGFDF-UHFFFAOYSA-N
XLogP2.51
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-cyanocyclohexyl)-3-methoxybenzamide 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-cyclopropyl-3-methoxybenzamide
CID 900156
N-(4-cyanocyclohexyl)-4-methoxybenzamide
CID 115270168
methyl 4-[(3-methoxybenzoyl)amino]cyclohexane-1-carboxylate
CID 115617221
N-cyclopropyl-3-[4-(3-methoxybenzoyl)phenyl]-4-methylbenzamide
CID 142750926
N-[1-(2,2-dimethylpropanoyl)piperidin-4-yl]-3-methoxybenzamide
CID 110819864
3-methoxy-N-[1-(2-methoxyethyl)piperidin-4-yl]benzamide
CID 71784695
N-[1-(furan-3-carbonyl)piperidin-4-yl]-3-methoxybenzamide
CID 38022754
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179
3-hydroxy-N-[1-(3-methoxybenzoyl)piperidin-4-yl]benzamide
CID 108558264
N-cyclopropyl-3-[(3-methoxyphenyl)sulfamoyl]benzamide
CID 109062340
3-methoxy-N-[1-(4-methylbenzoyl)piperidin-4-yl]benzamide
CID 108550302
N-[(1S,5S)-9-cyclopropyl-9-azabicyclo[3.3.1]nonan-3-yl]-3-methoxybenzamide
CID 1461300

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-3-methoxybenzamide?
The IUPAC name of N-(4-cyanocyclohexyl)-3-methoxybenzamide (CID 115270167) is N-(4-cyanocyclohexyl)-3-methoxybenzamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-3-methoxybenzamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-3-methoxybenzamide is COc1cccc(C(=O)NC2CCC(C#N)CC2)c1.
What is the InChIKey of N-(4-cyanocyclohexyl)-3-methoxybenzamide?
The InChIKey is NQIHQHZNYVGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-14-4-2-3-12(9-14)15(18)17-13-7-5-11(10-16)6-8-13/h2-4,9,11,13H,5-8H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanocyclohexyl)-3-methoxybenzamide?
N-(4-cyanocyclohexyl)-3-methoxybenzamide has a molecular weight of 258.32 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanocyclohexyl)-3-methoxybenzamide is sourced from PubChem (CID 115270167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).