N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide

C16H27NO2 — CID 107178843

IUPACN,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1(C)C)C1CCC(=O)CC1
InChIInChI=1S/C16H27NO2/c1-16(2)11-5-4-6-14(16)15(19)17(3)12-7-9-13(18)10-8-12/h12,14H,4-11H2,1-3H3
InChIKeyYSWDOGCTIPRAHB-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.17
Rot. Bonds2

About N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide

N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide (PubChem CID 107178843) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide
PubChem CID107178843
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC NameN,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1CCCCC1(C)C)C1CCC(=O)CC1
InChIInChI=1S/C16H27NO2/c1-16(2)11-5-4-6-14(16)15(19)17(3)12-7-9-13(18)10-8-12/h12,14H,4-11H2,1-3H3
InChIKeyYSWDOGCTIPRAHB-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Eth 1810
CID 127281
Lithium ionophore III
CID 13828230
Cyclohexane-1,2-dicarboxylic acid, bis-(cyclohexyl-methyl-amide)
CID 619494
1,2-Cyclohexanedicarboxamide, N,N-dicyclohexyl-N',N'-bis(2-methylpropyl)-
CID 622407
[(1S,2S)-1,2-dimethylcyclohexyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone
CID 14223666
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
cis-(1R,2S)-2-N,2-N-dicyclohexyl-1-N,1-N-bis(2-methylpropyl)cyclohexane-1,2-dicarboxamide
CID 21120833
1-[2-(Cyclohexanecarbonyl)piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 57632820
cis-(1S,2R)-N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-(2,2-dimethylpropanoyl)-N-methylcyclohexane-1-carboxamide
CID 58165929

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide?
The IUPAC name of N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide (CID 107178843) is N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide?
The canonical SMILES for N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide is CN(C(=O)C1CCCCC1(C)C)C1CCC(=O)CC1.
What is the InChIKey of N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide?
The InChIKey is YSWDOGCTIPRAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2)11-5-4-6-14(16)15(19)17(3)12-7-9-13(18)10-8-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide?
N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide has a molecular weight of 265.40 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-N-(4-oxocyclohexyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107178843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).