4-hydroxy-3-oxo-N-phenylpentanamide

C11H13NO3 — CID 163189970

IUPAC4-hydroxy-3-oxo-N-phenylpentanamide
SMILESCC(O)C(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(13)10(14)7-11(15)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,12,15)
InChIKeyWJAJOBHLCGERKV-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.97
Rot. Bonds4

About 4-hydroxy-3-oxo-N-phenylpentanamide

4-hydroxy-3-oxo-N-phenylpentanamide (PubChem CID 163189970) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-hydroxy-3-oxo-N-phenylpentanamide.

Molecular Properties

Compound Name4-hydroxy-3-oxo-N-phenylpentanamide
PubChem CID163189970
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Name4-hydroxy-3-oxo-N-phenylpentanamide
SMILESCC(O)C(=O)CC(=O)Nc1ccccc1
InChIInChI=1S/C11H13NO3/c1-8(13)10(14)7-11(15)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,12,15)
InChIKeyWJAJOBHLCGERKV-UHFFFAOYSA-N
XLogP0.97
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-3,4-dimethyl-N-phenylpentanamide
CID 102017324
3-oxo-N-phenylbutanamide
CID 161275903
acetic acid;3-oxo-N-phenylbutanamide
CID 160598921
(3R)-3-chloro-N-phenylbutanamide
CID 94188827
(4R)-4-hydroxy-N-phenylhexanamide
CID 155936166
5-anilino-2-methyl-5-oxopentanoic acid
CID 2950289
(2R)-5-anilino-2-methyl-5-oxopentanoic acid
CID 976695
N'-hydroxy-N-phenylpropanediamide
CID 20721653
3-methyl-N-[4-(phenylcarbamoylamino)phenyl]butanamide
CID 17193970
3-anilino-N-phenyl-3-sulfanylidenepropanamide
CID 2771545
ethane;methane;N-phenylpropanamide
CID 159778408
(Z)-3-iodo-N-phenylpent-3-enamide
CID 71606946

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-oxo-N-phenylpentanamide?
The IUPAC name of 4-hydroxy-3-oxo-N-phenylpentanamide (CID 163189970) is 4-hydroxy-3-oxo-N-phenylpentanamide.
What is the SMILES notation for 4-hydroxy-3-oxo-N-phenylpentanamide?
The canonical SMILES for 4-hydroxy-3-oxo-N-phenylpentanamide is CC(O)C(=O)CC(=O)Nc1ccccc1.
What is the InChIKey of 4-hydroxy-3-oxo-N-phenylpentanamide?
The InChIKey is WJAJOBHLCGERKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)10(14)7-11(15)12-9-5-3-2-4-6-9/h2-6,8,13H,7H2,1H3,(H,12,15).
What are the key properties of 4-hydroxy-3-oxo-N-phenylpentanamide?
4-hydroxy-3-oxo-N-phenylpentanamide has a molecular weight of 207.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-oxo-N-phenylpentanamide is sourced from PubChem (CID 163189970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).