N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide

C17H25NO — CID 169204570

IUPACN-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2(C)CCCCC2)cc1C
InChIInChI=1S/C17H25NO/c1-4-14-8-9-15(12-13(14)2)18-16(19)17(3)10-6-5-7-11-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyMCELXHVKJMRAHC-UHFFFAOYSA-N
MW259.39 g/mol
LogP4.47
Rot. Bonds3

About N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide

N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide (PubChem CID 169204570) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide
PubChem CID169204570
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC NameN-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide
SMILESCCc1ccc(NC(=O)C2(C)CCCCC2)cc1C
InChIInChI=1S/C17H25NO/c1-4-14-8-9-15(12-13(14)2)18-16(19)17(3)10-6-5-7-11-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,19)
InChIKeyMCELXHVKJMRAHC-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-N-(3-methyl-4-phenylmethoxyphenyl)cyclopentane-1-carboxamide
CID 100692286
1-methyl-N-(3-methyl-4-propoxyphenyl)cyclopropane-1-carboxamide
CID 117059920
N-[4-(dimethylamino)-3-methylphenyl]-1-methylcyclopropane-1-carboxamide
CID 117059853
2-[[2-[4-[(1-methylcycloheptanecarbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 120523468
2-amino-N-(4-ethyl-3-methylphenyl)acetamide
CID 130495605
N-(2,5-dimethylphenyl)-1-methylcyclohexane-1-carboxamide
CID 56695193
N-(3,5-dimethyl-4-phenylmethoxyphenyl)-1-methylcyclopentane-1-carboxamide
CID 100692444
1-methyl-N-(5-methyl-6-propoxy-3-pyridinyl)cyclopentane-1-carboxamide
CID 100773790
N-(3-bromo-4-sulfamoylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827763
N-(4-ethyl-1H-pyrazol-5-yl)-1-methylcyclohexane-1-carboxamide
CID 106827945
N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
N-(4-ethyl-3-methylphenyl)-4-(methylamino)butanamide
CID 114250285

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide (CID 169204570) is N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide is CCc1ccc(NC(=O)C2(C)CCCCC2)cc1C.
What is the InChIKey of N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide?
The InChIKey is MCELXHVKJMRAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-4-14-8-9-15(12-13(14)2)18-16(19)17(3)10-6-5-7-11-17/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,19).
What are the key properties of N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide?
N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide has a molecular weight of 259.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-3-methylphenyl)-1-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 169204570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).