N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide

C15H18N2O — CID 79005674

IUPACN-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-2-4-13(14)10-16/h2-5,11-12H,6-9H2,1H3,(H,17,18)
InChIKeyWBAYNMFTYAZQPR-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.32
Rot. Bonds2

About N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide

N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide (PubChem CID 79005674) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
PubChem CID79005674
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide
SMILESCC1CCC(C(=O)Nc2ccccc2C#N)CC1
InChIInChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-2-4-13(14)10-16/h2-5,11-12H,6-9H2,1H3,(H,17,18)
InChIKeyWBAYNMFTYAZQPR-UHFFFAOYSA-N
XLogP3.32
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(2-chlorophenyl)-1-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109150947
4-N-(2-cyanophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150350
1-N-(2-cyanophenyl)-4-N,4-N-diethylcyclohexane-1,4-dicarboxamide
CID 109149507
methyl 4-[(2-cyanophenyl)carbamoyl]piperidine-1-carboxylate
CID 110754248
N-(2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106737104
1-butanoyl-N-(2-cyanophenyl)piperidine-4-carboxamide
CID 113008689
4-N-(2-cyanophenyl)-1-N-(3-fluorophenyl)cyclohexane-1,4-dicarboxamide
CID 109151123
N-(2-cyanophenyl)-1,1-dioxothiolane-3-carboxamide
CID 60674718
1-N-[(4-chlorophenyl)methyl]-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109148526
4-N-(2-cyanophenyl)-1-N-[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148403
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862
1-N-(1,3-benzodioxol-5-yl)-4-N-(2-cyanophenyl)cyclohexane-1,4-dicarboxamide
CID 109151131

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide (CID 79005674) is N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide is CC1CCC(C(=O)Nc2ccccc2C#N)CC1.
What is the InChIKey of N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide?
The InChIKey is WBAYNMFTYAZQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-6-8-12(9-7-11)15(18)17-14-5-3-2-4-13(14)10-16/h2-5,11-12H,6-9H2,1H3,(H,17,18).
What are the key properties of N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide?
N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 79005674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).