N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide

C15H21NO2 — CID 129215411

IUPACN-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11-4-3-5-12(10-11)15(17)16-13-6-8-14(18-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyIOOSDWFALOMGLW-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.46
Rot. Bonds3

About N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide

N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide (PubChem CID 129215411) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
PubChem CID129215411
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC NameN-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO2/c1-11-4-3-5-12(10-11)15(17)16-13-6-8-14(18-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,16,17)
InChIKeyIOOSDWFALOMGLW-UHFFFAOYSA-N
XLogP3.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 144736513
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 142985904
3-amino-N-(4-methoxyphenyl)cyclopentane-1-carboxamide
CID 66030664
1-(cyclobutanecarbonyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 113007524
4-(cyclopentanecarbonylamino)-N-(4-methoxyphenyl)benzamide
CID 2677112
[4-[(3-methylcyclohexanecarbonyl)amino]phenyl] thiocyanate
CID 154972346
4-amino-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 54928395
N-(4-methoxyphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145697
1-N-cyclopentyl-4-N-(4-methoxyphenyl)cyclohexane-1,4-dicarboxamide
CID 109145869
N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]cyclopentanecarboxamide
CID 2649885
3-[(4-methoxyphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 63043293

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide (CID 129215411) is N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide is COc1ccc(NC(=O)C2CCCC(C)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
The InChIKey is IOOSDWFALOMGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-4-3-5-12(10-11)15(17)16-13-6-8-14(18-2)9-7-13/h6-9,11-12H,3-5,10H2,1-2H3,(H,16,17).
What are the key properties of N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide?
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide has a molecular weight of 247.34 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 129215411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).