N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

C19H27NO — CID 32668077

IUPACN-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC3CCC(C)CC3)CCC2)c1
InChIInChI=1S/C19H27NO/c1-14-7-9-17(10-8-14)20-18(21)19(11-4-12-19)16-6-3-5-15(2)13-16/h3,5-6,13-14,17H,4,7-12H2,1-2H3,(H,20,21)
InChIKeyBIRJDFUMXSLYFB-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.11
Rot. Bonds3

About N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide

N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (PubChem CID 32668077) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
PubChem CID32668077
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
SMILESCc1cccc(C2(C(=O)NC3CCC(C)CC3)CCC2)c1
InChIInChI=1S/C19H27NO/c1-14-7-9-17(10-8-14)20-18(21)19(11-4-12-19)16-6-3-5-15(2)13-16/h3,5-6,13-14,17H,4,7-12H2,1-2H3,(H,20,21)
InChIKeyBIRJDFUMXSLYFB-UHFFFAOYSA-N
XLogP4.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylphenyl)-N-(2-methylpiperidin-4-yl)cyclohexane-1-carboxamide
CID 120598674
N-[1-[2-(methylamino)-2-oxoethyl]piperidin-4-yl]-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 32531017
N-(4-methylcyclohexyl)-1-[4-[(3-methylphenyl)sulfonylamino]phenyl]cyclopropane-1-carboxamide
CID 46378252
N-[(3R,4S)-4-hydroxyoxolan-3-yl]-1-(3-methylphenyl)cyclopentane-1-carboxamide
CID 128649441
1-(3-fluorophenyl)-N-(4-hydroxycyclohexyl)cyclobutane-1-carboxamide
CID 110884708
methyl 1-(3-methylphenyl)cyclobutane-1-carboxylate
CID 112724218
N-(4-aminocyclohexyl)-1-(3-bromophenyl)cyclopentane-1-carboxamide
CID 119475744
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
3-[(1-phenylcyclobutanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030740
1-(3-methylphenyl)cyclopropane-1-carbohydrazide
CID 116844219
N-(2-chloroprop-2-enyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 113238634
N-(2-hydroxy-2-methylpropyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide
CID 65109762

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide (CID 32668077) is N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is Cc1cccc(C2(C(=O)NC3CCC(C)CC3)CCC2)c1.
What is the InChIKey of N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
The InChIKey is BIRJDFUMXSLYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-14-7-9-17(10-8-14)20-18(21)19(11-4-12-19)16-6-3-5-15(2)13-16/h3,5-6,13-14,17H,4,7-12H2,1-2H3,(H,20,21).
What are the key properties of N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide?
N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide has a molecular weight of 285.43 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)-1-(3-methylphenyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 32668077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).