N-hydroxy-4-phenylbutanamide

• ChemBase ID: 153259
• Molecular Formular: C10H13NO2
• Molecular Mass: 179.21572
• Monoisotopic Mass: 179.09462866
• SMILES: c1ccc(cc1)CCCC(=O)NO
• Canonical SMILES: ONC(=O)CCCc1ccccc1
• InChI: InChI=1S/C10H13NO2/c12-10(11-13)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,13H,4,7-8H2,(H,11,12)
• InChIKey: UPHXPXYRKPCXHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-4-phenylbutanamide
• IUPAC Traditional name: N-hydroxy-4-phenylbutanamide
• Synonyms: N-hydroxy-4-phenylbutanamide; 4-Phenylbutyryl hydroxamic acid

Database IDs

• CAS Number: 32153-46-1
• MDL Number: MFCD00561925
• PubChem SID: 162247398
• PubChem CID: 279980

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• Acid pKa: 8.907419
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 1.6898379
• LogD (pH = 7.4): 1.6767749
• Log P: 1.6900071
• Molar Refractivity: 50.1544 cm^3
• Polarizability: 19.520157 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4

PROPERTIES

Physical Property

• Solubility: H2O: ≥10 mg/mL
• Apperance: white to tan powder
• Hydrophobicity(logP): 0.882

Safety Information

• Storage Temperature: 2-8°C

Product Information

• Purity: ≥98% (HPLC); 95%
• Shipped in: wet ice
• Empirical Formula (Hill Notation): C10H13NO2

DETAILS

Sigma Aldrich - SML0026

Biochem/physiol Actions
4-Phenylbutyryl hydroxamic acid is a cell permeable HDAC inhibitor which is about 100 times more potent than parent carboxylic acid among nine HDAC enzymes.