N,5,5-trimethyl-2,4-dioxohexanamide

C9H15NO3 — CID 10932129

IUPACN,5,5-trimethyl-2,4-dioxohexanamide
SMILESCNC(=O)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C9H15NO3/c1-9(2,3)7(12)5-6(11)8(13)10-4/h5H2,1-4H3,(H,10,13)
InChIKeyFNLMXTGFDKTVOH-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.31
Rot. Bonds3

About N,5,5-trimethyl-2,4-dioxohexanamide

N,5,5-trimethyl-2,4-dioxohexanamide (PubChem CID 10932129) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is N,5,5-trimethyl-2,4-dioxohexanamide.

Molecular Properties

Compound NameN,5,5-trimethyl-2,4-dioxohexanamide
PubChem CID10932129
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC NameN,5,5-trimethyl-2,4-dioxohexanamide
SMILESCNC(=O)C(=O)CC(=O)C(C)(C)C
InChIInChI=1S/C9H15NO3/c1-9(2,3)7(12)5-6(11)8(13)10-4/h5H2,1-4H3,(H,10,13)
InChIKeyFNLMXTGFDKTVOH-UHFFFAOYSA-N
XLogP0.31
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N,N,5,5-tetramethyl-2,4-dioxohexanamide
CID 15702285
N,3,3-trimethyl-2-oxopentanamide
CID 21353749
5,5-dimethyl-4-oxo-N-(2-oxopropyl)hexanamide
CID 59407277
N,4,4-trimethyl-3-oxohexanamide
CID 59938849
N-ethyl-5,5-dimethyl-4-oxohexanamide
CID 88613640
N,5-dimethyl-4-oxohexanamide
CID 124164274
N,5,5-trimethyl-4-oxohexanamide
CID 134590722
N,2,2-trimethyl-4-oxopentanamide
CID 153336709
(2S)-N,2,5,5-tetramethyl-4-oxohexanamide
CID 157765472
2,2,5,5-tetramethyl-N-(2-oxobutyl)hexanamide
CID 160627964
N-(4,4-dimethylpentyl)-5,5-dimethyl-4-oxohexanamide
CID 161471539
5,5-dimethyl-4-oxo-N-propylhexanamide
CID 161707934

Frequently Asked Questions

What is the IUPAC name of N,5,5-trimethyl-2,4-dioxohexanamide?
The IUPAC name of N,5,5-trimethyl-2,4-dioxohexanamide (CID 10932129) is N,5,5-trimethyl-2,4-dioxohexanamide.
What is the SMILES notation for N,5,5-trimethyl-2,4-dioxohexanamide?
The canonical SMILES for N,5,5-trimethyl-2,4-dioxohexanamide is CNC(=O)C(=O)CC(=O)C(C)(C)C.
What is the InChIKey of N,5,5-trimethyl-2,4-dioxohexanamide?
The InChIKey is FNLMXTGFDKTVOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-9(2,3)7(12)5-6(11)8(13)10-4/h5H2,1-4H3,(H,10,13).
What are the key properties of N,5,5-trimethyl-2,4-dioxohexanamide?
N,5,5-trimethyl-2,4-dioxohexanamide has a molecular weight of 185.22 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,5,5-trimethyl-2,4-dioxohexanamide is sourced from PubChem (CID 10932129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).