3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide

C11H17NO3 — CID 14745540

IUPAC3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCC1CC(=O)CCC1=O
InChIInChI=1S/C11H17NO3/c1-12(2)11(15)6-3-8-7-9(13)4-5-10(8)14/h8H,3-7H2,1-2H3
InChIKeyHXOMSKWYQMABEO-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.79
Rot. Bonds3

About 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide

3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide (PubChem CID 14745540) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide
PubChem CID14745540
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide
SMILESCN(C)C(=O)CCC1CC(=O)CCC1=O
InChIInChI=1S/C11H17NO3/c1-12(2)11(15)6-3-8-7-9(13)4-5-10(8)14/h8H,3-7H2,1-2H3
InChIKeyHXOMSKWYQMABEO-UHFFFAOYSA-N
XLogP0.79
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-4-oxocyclohexane-1-carboxamide
CID 68003587
2-Cyclohexyl-N,N-dimethylacetamide
CID 12760890
2-(N,N-dimethyl-2-carbamoylethyl) cyclohexanone
CID 12171821
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,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
4-cyclohexyl-N,N-dimethylbutanamide
CID 12760905

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide?
The IUPAC name of 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide (CID 14745540) is 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide.
What is the SMILES notation for 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide?
The canonical SMILES for 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide is CN(C)C(=O)CCC1CC(=O)CCC1=O.
What is the InChIKey of 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide?
The InChIKey is HXOMSKWYQMABEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-12(2)11(15)6-3-8-7-9(13)4-5-10(8)14/h8H,3-7H2,1-2H3.
What are the key properties of 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide?
3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide has a molecular weight of 211.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxocyclohexyl)-N,N-dimethylpropanamide is sourced from PubChem (CID 14745540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).