2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide

C12H21NO2 — CID 107178834

IUPAC2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=O)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C12H21NO2/c1-9(14)8-13-11(15)10-6-4-5-7-12(10,2)3/h10H,4-8H2,1-3H3,(H,13,15)
InChIKeyBAGWARBJQYWMFG-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.91
Rot. Bonds3

About 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide

2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide (PubChem CID 107178834) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
PubChem CID107178834
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide
SMILESCC(=O)CNC(=O)C1CCCCC1(C)C
InChIInChI=1S/C12H21NO2/c1-9(14)8-13-11(15)10-6-4-5-7-12(10,2)3/h10H,4-8H2,1-3H3,(H,13,15)
InChIKeyBAGWARBJQYWMFG-UHFFFAOYSA-N
XLogP1.91
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromoprop-2-enyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 104917114
N-hydroxy-2,2-dimethylcyclohexane-1-carboxamide
CID 87324456
N-[[1-(aminomethyl)cyclopropyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184694
N-(3-chloropropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107179984
N-(3-hydroxybutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107180369
N-[[2-(bromomethyl)cyclohexyl]methyl]-2,2-dimethylcyclohexane-1-carboxamide
CID 107184222
2,2-dimethyl-N-(2-sulfamoylethyl)cyclohexane-1-carboxamide
CID 107182865
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclohexane-1-carboxamide
CID 114008358
N-[[1-(chloromethyl)cyclopentyl]methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 107184226
N-(4-amino-2,2-dimethylbutyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 114148900
2-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]-2-ethylbutanoic acid
CID 107175829
N-(2-cyano-2-methylpropyl)-2,2-dimethylcyclohexane-1-carboxamide
CID 107178617

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide (CID 107178834) is 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide is CC(=O)CNC(=O)C1CCCCC1(C)C.
What is the InChIKey of 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide?
The InChIKey is BAGWARBJQYWMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(14)8-13-11(15)10-6-4-5-7-12(10,2)3/h10H,4-8H2,1-3H3,(H,13,15).
What are the key properties of 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide?
2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide has a molecular weight of 211.30 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-oxopropyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 107178834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).