2-ethyl-2-methyl-3-oxobutanamide

C7H13NO2 — CID 45085714

IUPAC2-ethyl-2-methyl-3-oxobutanamide
SMILESCCC(C)(C(C)=O)C(N)=O
InChIInChI=1S/C7H13NO2/c1-4-7(3,5(2)9)6(8)10/h4H2,1-3H3,(H2,8,10)
InChIKeyKHSVWMWWGQUWRY-UHFFFAOYSA-N
MW143.19 g/mol
LogP0.48
Rot. Bonds3

About 2-ethyl-2-methyl-3-oxobutanamide

2-ethyl-2-methyl-3-oxobutanamide (PubChem CID 45085714) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-oxobutanamide.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-oxobutanamide
PubChem CID45085714
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name2-ethyl-2-methyl-3-oxobutanamide
SMILESCCC(C)(C(C)=O)C(N)=O
InChIInChI=1S/C7H13NO2/c1-4-7(3,5(2)9)6(8)10/h4H2,1-3H3,(H2,8,10)
InChIKeyKHSVWMWWGQUWRY-UHFFFAOYSA-N
XLogP0.48
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 50.48
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-ethyl-2-methyl-3-oxobutanamide?
The IUPAC name of 2-ethyl-2-methyl-3-oxobutanamide (CID 45085714) is 2-ethyl-2-methyl-3-oxobutanamide.
What is the SMILES notation for 2-ethyl-2-methyl-3-oxobutanamide?
The canonical SMILES for 2-ethyl-2-methyl-3-oxobutanamide is CCC(C)(C(C)=O)C(N)=O.
What is the InChIKey of 2-ethyl-2-methyl-3-oxobutanamide?
The InChIKey is KHSVWMWWGQUWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-4-7(3,5(2)9)6(8)10/h4H2,1-3H3,(H2,8,10).
What are the key properties of 2-ethyl-2-methyl-3-oxobutanamide?
2-ethyl-2-methyl-3-oxobutanamide has a molecular weight of 143.19 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-oxobutanamide is sourced from PubChem (CID 45085714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).