N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide

C16H20N2O — CID 105002347

IUPACN-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C16H20N2O/c1-12-6-7-13(11-17)10-14(12)18-15(19)16(2)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyHEDLMVGCXTYFAI-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.78
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide

N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 105002347) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID105002347
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1(C)CCCCC1
InChIInChI=1S/C16H20N2O/c1-12-6-7-13(11-17)10-14(12)18-15(19)16(2)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19)
InChIKeyHEDLMVGCXTYFAI-UHFFFAOYSA-N
XLogP3.78
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78981313
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide
CID 63129014
2-(1-aminocyclopentyl)-N-(5-cyano-2-methylphenyl)acetamide
CID 64679673
N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 102609120
N-(5-cyano-2-methylphenyl)azepane-1-carboxamide
CID 78983990
4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264173
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
methyl 2-(5-cyano-2-methylanilino)-2-oxoacetate
CID 112617117
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
CID 47475916

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide (CID 105002347) is N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide is Cc1ccc(C#N)cc1NC(=O)C1(C)CCCCC1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is HEDLMVGCXTYFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-6-7-13(11-17)10-14(12)18-15(19)16(2)8-4-3-5-9-16/h6-7,10H,3-5,8-9H2,1-2H3,(H,18,19).
What are the key properties of N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide?
N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 105002347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).