N-hydroxy-3-(4-methoxyphenyl)propanamide

• ChemBase ID: 262934
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(NO)CCc1ccc(cc1)OC
• Canonical SMILES: ONC(=O)CCc1ccc(cc1)OC
• InChI: InChI=1S/C10H13NO3/c1-14-9-5-2-8(3-6-9)4-7-10(12)11-13/h2-3,5-6,13H,4,7H2,1H3,(H,11,12)
• InChIKey: YPKVKEDNKOLIAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-hydroxy-3-(4-methoxyphenyl)propanamide
• IUPAC Traditional name: N-hydroxy-3-(4-methoxyphenyl)propanamide
• Synonyms: N-hydroxy-3-(4-methoxyphenyl)propanamide

Database IDs

• MDL Number: MFCD00033230
• PubChem SID: 164318844
• PubChem CID: 12814960

CALCULATED PROPERTIES

• Acid pKa: 8.904041
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.0875967
• LogD (pH = 7.4): 1.0744332
• Log P: 1.0877671
• Molar Refractivity: 52.0166 cm^3
• Polarizability: 20.213818 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.422

Product Information

• Purity: 95%