2,2-diethyl-3-oxohexanamide

C10H19NO2 — CID 3028555

IUPAC2,2-diethyl-3-oxohexanamide
SMILESCCCC(=O)C(CC)(CC)C(N)=O
InChIInChI=1S/C10H19NO2/c1-4-7-8(12)10(5-2,6-3)9(11)13/h4-7H2,1-3H3,(H2,11,13)
InChIKeyFSLGHVABUFWTGT-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.65
Rot. Bonds6

About 2,2-diethyl-3-oxohexanamide

2,2-diethyl-3-oxohexanamide (PubChem CID 3028555) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2,2-diethyl-3-oxohexanamide.

Molecular Properties

Compound Name2,2-diethyl-3-oxohexanamide
PubChem CID3028555
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2,2-diethyl-3-oxohexanamide
SMILESCCCC(=O)C(CC)(CC)C(N)=O
InChIInChI=1S/C10H19NO2/c1-4-7-8(12)10(5-2,6-3)9(11)13/h4-7H2,1-3H3,(H2,11,13)
InChIKeyFSLGHVABUFWTGT-UHFFFAOYSA-N
XLogP1.65
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-3-oxohexanamide?
The IUPAC name of 2,2-diethyl-3-oxohexanamide (CID 3028555) is 2,2-diethyl-3-oxohexanamide.
What is the SMILES notation for 2,2-diethyl-3-oxohexanamide?
The canonical SMILES for 2,2-diethyl-3-oxohexanamide is CCCC(=O)C(CC)(CC)C(N)=O.
What is the InChIKey of 2,2-diethyl-3-oxohexanamide?
The InChIKey is FSLGHVABUFWTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-4-7-8(12)10(5-2,6-3)9(11)13/h4-7H2,1-3H3,(H2,11,13).
What are the key properties of 2,2-diethyl-3-oxohexanamide?
2,2-diethyl-3-oxohexanamide has a molecular weight of 185.27 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-3-oxohexanamide is sourced from PubChem (CID 3028555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).