N-(4-cyanocyclohexyl)-4-methoxybenzamide

C15H18N2O2 — CID 115270168

IUPACN-(4-cyanocyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(C#N)CC2)cc1
InChIInChI=1S/C15H18N2O2/c1-19-14-8-4-12(5-9-14)15(18)17-13-6-2-11(10-16)3-7-13/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyQUKWLLMDWZHDEL-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.51
Rot. Bonds3

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

N-(4-cyanocyclohexyl)-4-methoxybenzamide (PubChem CID 115270168) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is N-(4-cyanocyclohexyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-(4-cyanocyclohexyl)-4-methoxybenzamide
PubChem CID115270168
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC NameN-(4-cyanocyclohexyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCC(C#N)CC2)cc1
InChIInChI=1S/C15H18N2O2/c1-19-14-8-4-12(5-9-14)15(18)17-13-6-2-11(10-16)3-7-13/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyQUKWLLMDWZHDEL-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

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Related Compounds

N-(4-cyanocyclohexyl)-3-methoxybenzamide
CID 115270167
N-(4-chlorocyclohexyl)-4-methoxybenzamide
CID 114297313
N-(4-cyanocyclohexyl)-3,4-difluorobenzamide
CID 115270179
N-[4-[4-cyano-3-(trifluoromethyl)anilino]cyclohexyl]-4-methoxybenzamide
CID 163399624
N-cyclopropyl-3-methoxybenzamide
CID 900156
N-[(1S,3S)-3-hydroxycyclohexyl]-4-methoxybenzamide
CID 95983830
4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
1-N-cyclopropyl-4-N-(2,4-dimethoxyphenyl)benzene-1,4-dicarboxamide
CID 109043393
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-methoxybenzamide;hydrochloride
CID 119456903
N-cyclopropyl-4-[[cyclopropyl-(4-methoxybenzoyl)amino]methyl]benzamide
CID 34178936
4-methoxy-N-(2-methylpiperidin-4-yl)benzamide
CID 106995490
4-N-cyclohexyl-1-N-[2-(4-methoxyphenoxy)ethyl]benzene-1,4-dicarboxamide
CID 109044769

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanocyclohexyl)-4-methoxybenzamide?
The IUPAC name of N-(4-cyanocyclohexyl)-4-methoxybenzamide (CID 115270168) is N-(4-cyanocyclohexyl)-4-methoxybenzamide.
What is the SMILES notation for N-(4-cyanocyclohexyl)-4-methoxybenzamide?
The canonical SMILES for N-(4-cyanocyclohexyl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CCC(C#N)CC2)cc1.
What is the InChIKey of N-(4-cyanocyclohexyl)-4-methoxybenzamide?
The InChIKey is QUKWLLMDWZHDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-14-8-4-12(5-9-14)15(18)17-13-6-2-11(10-16)3-7-13/h4-5,8-9,11,13H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-(4-cyanocyclohexyl)-4-methoxybenzamide?
N-(4-cyanocyclohexyl)-4-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)-4-methoxybenzamide is sourced from PubChem (CID 115270168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).