N-ethyl-5,5-dimethyl-4-oxohexanamide

C10H19NO2 — CID 88613640

IUPACN-ethyl-5,5-dimethyl-4-oxohexanamide
SMILESCCNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-11-9(13)7-6-8(12)10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyOWFGCHJZQZEMPO-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.52
Rot. Bonds4

About N-ethyl-5,5-dimethyl-4-oxohexanamide

N-ethyl-5,5-dimethyl-4-oxohexanamide (PubChem CID 88613640) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is N-ethyl-5,5-dimethyl-4-oxohexanamide.

Molecular Properties

Compound NameN-ethyl-5,5-dimethyl-4-oxohexanamide
PubChem CID88613640
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC NameN-ethyl-5,5-dimethyl-4-oxohexanamide
SMILESCCNC(=O)CCC(=O)C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-11-9(13)7-6-8(12)10(2,3)4/h5-7H2,1-4H3,(H,11,13)
InChIKeyOWFGCHJZQZEMPO-UHFFFAOYSA-N
XLogP1.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,6-Dimethylazepane-2,4-dione
CID 12349287
N-Butyl-2,2,4-trimethyl-3-oxopentanimidic acid
CID 212510
2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
CID 43652748
2,2-dimethyl-N-(4-oxodecyl)propanamide
CID 14267847
N-tert-butyl-5,5-dimethyl-4-oxohexanamide
CID 12173678
N-butyl-4-oxopentanamide
CID 12583962
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-(4,4-dimethyl-3-oxopentyl)-2,2-dimethylpropanamide
CID 10375924
3,5,5-trimethyl-N-(2-methylpropyl)hexanamide
CID 53962467
N-ethyl-3,5,5-trimethylhexanamide
CID 88875392

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,5-dimethyl-4-oxohexanamide?
The IUPAC name of N-ethyl-5,5-dimethyl-4-oxohexanamide (CID 88613640) is N-ethyl-5,5-dimethyl-4-oxohexanamide.
What is the SMILES notation for N-ethyl-5,5-dimethyl-4-oxohexanamide?
The canonical SMILES for N-ethyl-5,5-dimethyl-4-oxohexanamide is CCNC(=O)CCC(=O)C(C)(C)C.
What is the InChIKey of N-ethyl-5,5-dimethyl-4-oxohexanamide?
The InChIKey is OWFGCHJZQZEMPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-11-9(13)7-6-8(12)10(2,3)4/h5-7H2,1-4H3,(H,11,13).
What are the key properties of N-ethyl-5,5-dimethyl-4-oxohexanamide?
N-ethyl-5,5-dimethyl-4-oxohexanamide has a molecular weight of 185.27 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,5-dimethyl-4-oxohexanamide is sourced from PubChem (CID 88613640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).