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

C18H29NO2 — CID 144736513

IUPACN-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane
SMILESCCC.COc1ccc(NC(=O)C2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO2.C3H8/c1-11-4-3-5-12(10-11)15(17)16-13-6-8-14(18-2)9-7-13;1-3-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,16,17);3H2,1-2H3
InChIKeyMHZMTSPTNFYFJZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.88
Rot. Bonds3

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

N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane (PubChem CID 144736513) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane
PubChem CID144736513
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC NameN-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane
SMILESCCC.COc1ccc(NC(=O)C2CCCC(C)C2)cc1
InChIInChI=1S/C15H21NO2.C3H8/c1-11-4-3-5-12(10-11)15(17)16-13-6-8-14(18-2)9-7-13;1-3-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,16,17);3H2,1-2H3
InChIKeyMHZMTSPTNFYFJZ-UHFFFAOYSA-N
XLogP4.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide
CID 129215411
N-(4-chlorophenyl)-3-methylcyclohexane-1-carboxamide;propane
CID 142985904
N-[4-(4-methoxyanilino)phenyl]cyclohexanecarboxamide
CID 112987504
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-N-(4-methoxyphenyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144385
[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
4-butyl-N-(4-methoxyphenyl)cyclohexane-1-carboxamide
CID 19206890

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane?
The IUPAC name of N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane (CID 144736513) is N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane.
What is the SMILES notation for N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane?
The canonical SMILES for N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane is CCC.COc1ccc(NC(=O)C2CCCC(C)C2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane?
The InChIKey is MHZMTSPTNFYFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.C3H8/c1-11-4-3-5-12(10-11)15(17)16-13-6-8-14(18-2)9-7-13;1-3-2/h6-9,11-12H,3-5,10H2,1-2H3,(H,16,17);3H2,1-2H3.
What are the key properties of N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane?
N-(4-methoxyphenyl)-3-methylcyclohexane-1-carboxamide;propane has a molecular weight of 291.44 g/mol, XLogP of 4.88, 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;propane is sourced from PubChem (CID 144736513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).