acetic acid;2-oxo-3-phenylpropanamide

C11H13NO4 — CID 143555968

IUPACacetic acid;2-oxo-3-phenylpropanamide
SMILESCC(=O)O.NC(=O)C(=O)Cc1ccccc1
InChIInChI=1S/C9H9NO2.C2H4O2/c10-9(12)8(11)6-7-4-2-1-3-5-7;1-2(3)4/h1-5H,6H2,(H2,10,12);1H3,(H,3,4)
InChIKeyKVOJSRRRIMJQGQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.37
Rot. Bonds3

About acetic acid;2-oxo-3-phenylpropanamide

acetic acid;2-oxo-3-phenylpropanamide (PubChem CID 143555968) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is acetic acid;2-oxo-3-phenylpropanamide.

Molecular Properties

Compound Nameacetic acid;2-oxo-3-phenylpropanamide
PubChem CID143555968
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Nameacetic acid;2-oxo-3-phenylpropanamide
SMILESCC(=O)O.NC(=O)C(=O)Cc1ccccc1
InChIInChI=1S/C9H9NO2.C2H4O2/c10-9(12)8(11)6-7-4-2-1-3-5-7;1-2(3)4/h1-5H,6H2,(H2,10,12);1H3,(H,3,4)
InChIKeyKVOJSRRRIMJQGQ-UHFFFAOYSA-N
XLogP0.37
TPSA97.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of acetic acid;2-oxo-3-phenylpropanamide?
The IUPAC name of acetic acid;2-oxo-3-phenylpropanamide (CID 143555968) is acetic acid;2-oxo-3-phenylpropanamide.
What is the SMILES notation for acetic acid;2-oxo-3-phenylpropanamide?
The canonical SMILES for acetic acid;2-oxo-3-phenylpropanamide is CC(=O)O.NC(=O)C(=O)Cc1ccccc1.
What is the InChIKey of acetic acid;2-oxo-3-phenylpropanamide?
The InChIKey is KVOJSRRRIMJQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2.C2H4O2/c10-9(12)8(11)6-7-4-2-1-3-5-7;1-2(3)4/h1-5H,6H2,(H2,10,12);1H3,(H,3,4).
What are the key properties of acetic acid;2-oxo-3-phenylpropanamide?
acetic acid;2-oxo-3-phenylpropanamide has a molecular weight of 223.23 g/mol, XLogP of 0.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-oxo-3-phenylpropanamide is sourced from PubChem (CID 143555968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).