2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone

C11H19NO2 — CID 12171821

IUPACN,N-dimethyl-3-(2-oxocyclohexyl)propanamide
SMILESCN(C)C(=O)CCC1CCCCC1=O
InChIInChI=1S/C11H19NO2/c1-12(2)11(14)8-7-9-5-3-4-6-10(9)13/h9H,3-8H2,1-2H3
InChIKeyZCXBGTDFGZCVCK-UHFFFAOYSA-N
MW197.27 g/mol
LogP0.80
Rot. Bonds3

About 2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone

2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone (PubChem CID 12171821) has the molecular formula C11H19NO2 and a molecular weight of 197.27 g/mol. Its IUPAC name is N,N-dimethyl-3-(2-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone
PubChem CID12171821
Molecular FormulaC11H19NO2
Molecular Weight197.27 g/mol
Exact Mass197.14
IUPAC NameN,N-dimethyl-3-(2-oxocyclohexyl)propanamide
SMILESCN(C)C(=O)CCC1CCCCC1=O
InChIInChI=1S/C11H19NO2/c1-12(2)11(14)8-7-9-5-3-4-6-10(9)13/h9H,3-8H2,1-2H3
InChIKeyZCXBGTDFGZCVCK-UHFFFAOYSA-N
XLogP0.80
TPSA37.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity223

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.27
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-Methyl-4-(2-oxo-2-(2-oxocyclohexyl)ethyl)-2,6-piperidinedione
CID 359828
N,N-Dimethylcyclohexanecarboxamide
CID 567668
N,N-dimethyl-4-oxocyclohexane-1-carboxamide
CID 68003587
1-N,1-N,3-N,3-N-tetramethylcyclohexane-1,3-dicarboxamide
CID 134893821
3-cyclohexyl-N,N-dimethylpropanamide
CID 4108486
N,N-diethyl-4-oxocyclohexane-1-carboxamide
CID 18400208
Cyclohexanecarboxamide, N,N-dimethyl-2-oxo-
CID 541996
4-cyclohexyl-N,N-dimethyl-4-oxobutanamide
CID 138966505
N,N-diethyl-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 2921260
N,N,3,7-tetramethyl-5-oxooctanamide
CID 14507550
N,N,2-trimethyl-2-(3-oxocyclohexyl)propanamide
CID 14507555
N,N-dimethyl-2-(1-methyl-3-oxocyclohexyl)acetamide
CID 14507557

Frequently Asked Questions

What is the IUPAC name of 2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone?
The IUPAC name of 2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone (CID 12171821) is N,N-dimethyl-3-(2-oxocyclohexyl)propanamide.
What is the SMILES notation for 2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone?
The canonical SMILES for 2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone is CN(C)C(=O)CCC1CCCCC1=O.
What is the InChIKey of 2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone?
The InChIKey is ZCXBGTDFGZCVCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-12(2)11(14)8-7-9-5-3-4-6-10(9)13/h9H,3-8H2,1-2H3.
What are the key properties of 2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone?
2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone has a molecular weight of 197.27 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone is sourced from PubChem (CID 12171821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).