2-oxo-N-(2-oxobutyl)acetamide

C6H9NO3 — CID 22335308

IUPAC2-oxo-N-(2-oxobutyl)acetamide
SMILESCCC(=O)CNC(=O)C=O
InChIInChI=1S/C6H9NO3/c1-2-5(9)3-7-6(10)4-8/h4H,2-3H2,1H3,(H,7,10)
InChIKeyUUFIMSKTCSVZHZ-UHFFFAOYSA-N
MW143.14 g/mol
LogP-0.72
Rot. Bonds4

About 2-oxo-N-(2-oxobutyl)acetamide

2-oxo-N-(2-oxobutyl)acetamide (PubChem CID 22335308) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-oxo-N-(2-oxobutyl)acetamide.

Molecular Properties

Compound Name2-oxo-N-(2-oxobutyl)acetamide
PubChem CID22335308
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-oxo-N-(2-oxobutyl)acetamide
SMILESCCC(=O)CNC(=O)C=O
InChIInChI=1S/C6H9NO3/c1-2-5(9)3-7-6(10)4-8/h4H,2-3H2,1H3,(H,7,10)
InChIKeyUUFIMSKTCSVZHZ-UHFFFAOYSA-N
XLogP-0.72
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-(2-oxobutyl)acetamide?
The IUPAC name of 2-oxo-N-(2-oxobutyl)acetamide (CID 22335308) is 2-oxo-N-(2-oxobutyl)acetamide.
What is the SMILES notation for 2-oxo-N-(2-oxobutyl)acetamide?
The canonical SMILES for 2-oxo-N-(2-oxobutyl)acetamide is CCC(=O)CNC(=O)C=O.
What is the InChIKey of 2-oxo-N-(2-oxobutyl)acetamide?
The InChIKey is UUFIMSKTCSVZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-2-5(9)3-7-6(10)4-8/h4H,2-3H2,1H3,(H,7,10).
What are the key properties of 2-oxo-N-(2-oxobutyl)acetamide?
2-oxo-N-(2-oxobutyl)acetamide has a molecular weight of 143.14 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-(2-oxobutyl)acetamide is sourced from PubChem (CID 22335308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).