5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide

C11H19NO3 — CID 59407277

IUPAC5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide
SMILESCC(=O)CNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(13)7-12-10(15)6-5-9(14)11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyKNDSOVBKGRGOKX-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.09
Rot. Bonds5

About 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide

5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide (PubChem CID 59407277) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide.

Molecular Properties

Compound Name5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide
PubChem CID59407277
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Name5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide
SMILESCC(=O)CNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C11H19NO3/c1-8(13)7-12-10(15)6-5-9(14)11(2,3)4/h5-7H2,1-4H3,(H,12,15)
InChIKeyKNDSOVBKGRGOKX-UHFFFAOYSA-N
XLogP1.09
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Tert-butylpyrrolidine-2,4-dione
CID 20805022
N-(2-fluoroethyl)-3-methyl-2-oxohexanamide
CID 145466660
N-[(2R)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785220
N-[(2S)-2-fluoro-5,5-dimethyl-4-oxohexyl]-2,2-dimethylpropanamide
CID 162785221
(2S)-2,5,5-trimethyl-4-oxo-N-(2,2,2-trifluoroethyl)hexanamide
CID 164127578
N,N-diethylpivaloylpyruvamide
CID 10966235
3,3-dimethyl-N-(4-oxocyclohexyl)butanamide
CID 43652772
2,2-dimethyl-N-(4-oxocyclohexyl)butanamide
CID 62678431
3-(2-fluoroacetyl)-N-propylhexanamide
CID 142124961
N-[(1-methyl-3-oxocyclohexyl)methyl]acetamide
CID 10631319
N,5,5-trimethyl-2,4-dioxohexanamide
CID 10932129
N-butyl-3,3-dimethyl-2-oxobutanamide
CID 13355143

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide?
The IUPAC name of 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide (CID 59407277) is 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide.
What is the SMILES notation for 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide?
The canonical SMILES for 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide is CC(=O)CNC(=O)CCC(=O)C(C)(C)C.
What is the InChIKey of 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide?
The InChIKey is KNDSOVBKGRGOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-8(13)7-12-10(15)6-5-9(14)11(2,3)4/h5-7H2,1-4H3,(H,12,15).
What are the key properties of 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide?
5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide has a molecular weight of 213.28 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide is sourced from PubChem (CID 59407277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).