N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide

C16H23NO — CID 56695193

IUPACN-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C)CCCCC2)c1
InChIInChI=1S/C16H23NO/c1-12-7-8-13(2)14(11-12)17-15(18)16(3)9-5-4-6-10-16/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyMKSZTOUAKADVCU-UHFFFAOYSA-N
MW245.37 g/mol
LogP4.21
Rot. Bonds2

About N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide

N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 56695193) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID56695193
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC NameN-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCc1ccc(C)c(NC(=O)C2(C)CCCCC2)c1
InChIInChI=1S/C16H23NO/c1-12-7-8-13(2)14(11-12)17-15(18)16(3)9-5-4-6-10-16/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,18)
InChIKeyMKSZTOUAKADVCU-UHFFFAOYSA-N
XLogP4.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
N-(5-cyano-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 105002347
5-methyl-2-[(1-methylcyclohexanecarbonyl)amino]benzoic acid
CID 106826163
N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
CID 78981313
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
N-[2-(3-hydroxyprop-1-ynyl)-5-methylphenyl]-1-methylcyclohexane-1-carboxamide
CID 106828212
methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate
CID 112729549
(2,5-dimethylphenyl)-(1-methylcyclohexyl)methanone
CID 106826512
N-(2,5-dimethylphenyl)-1,5,7-trimethyl-2,4-dioxo-3-azabicyclo[3.3.1]nonane-7-carboxamide
CID 4731042
1-methyl-N-(5-methyl-2-phenylsulfanylcarbonylsulfanylphenyl)cyclohexane-1-carboxamide
CID 89417733
1-N-(2,5-dimethylphenyl)-1-N',1-N'-diethylcyclopropane-1,1-dicarboxamide
CID 108979062
N-(2,4-dimethylphenyl)-4-methylpiperidine-4-carboxamide
CID 63121544

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide (CID 56695193) is N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide is Cc1ccc(C)c(NC(=O)C2(C)CCCCC2)c1.
What is the InChIKey of N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is MKSZTOUAKADVCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-12-7-8-13(2)14(11-12)17-15(18)16(3)9-5-4-6-10-16/h7-8,11H,4-6,9-10H2,1-3H3,(H,17,18).
What are the key properties of N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide?
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 245.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 56695193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).