4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide

C18H31NO2 — CID 79118431

IUPAC4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(C(C)(C)C)CC1)C1CCC(=O)CC1
InChIInChI=1S/C18H31NO2/c1-18(2,3)14-7-5-13(6-8-14)17(21)19(4)15-9-11-16(20)12-10-15/h13-15H,5-12H2,1-4H3
InChIKeyZUXHXSATYVLNMS-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.81
Rot. Bonds2

About 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide

4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide (PubChem CID 79118431) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide
PubChem CID79118431
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC Name4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCC(C(C)(C)C)CC1)C1CCC(=O)CC1
InChIInChI=1S/C18H31NO2/c1-18(2,3)14-7-5-13(6-8-14)17(21)19(4)15-9-11-16(20)12-10-15/h13-15H,5-12H2,1-4H3
InChIKeyZUXHXSATYVLNMS-UHFFFAOYSA-N
XLogP3.81
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(4-oxocyclohexyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622192
N,N-diethyl-6,6-dimethyl-3-oxobicyclo[2.2.2]octane-2-carboxamide
CID 5228602
N-Cyclohexyl-N-methyl-gamma-oxocyclohexanebutanamide
CID 17756481
1-(2-Tert-butyl-4-propan-2-ylpiperidin-1-yl)-2-cyclohexylethanone
CID 20794678
1-[2-(Cyclohexanecarbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 57632820
cis-(1R,2S)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165950
cis-(1S,2R)-N-[3-(dimethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165962
cis-(1R,2S)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165986
cis-(1S,2R)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165997
cis-(1R,2S)-N-[1-(dimethylamino)propan-2-yl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58166025
cis-(1S,2R)-N-[3-(diethylamino)propyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58166032
N-methyl-N,4-di(propan-2-yl)cyclohexane-1-carboxamide
CID 68084958

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide (CID 79118431) is 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide is CN(C(=O)C1CCC(C(C)(C)C)CC1)C1CCC(=O)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is ZUXHXSATYVLNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-18(2,3)14-7-5-13(6-8-14)17(21)19(4)15-9-11-16(20)12-10-15/h13-15H,5-12H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide?
4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 293.45 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 79118431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).