N-(4-ethoxyphenyl)-2-hydroxyacetamide

• ChemBase ID: 263498
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(Nc1ccc(cc1)OCC)CO
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)CO
• InChI: InChI=1S/C10H13NO3/c1-2-14-9-5-3-8(4-6-9)11-10(13)7-12/h3-6,12H,2,7H2,1H3,(H,11,13)
• InChIKey: UJUHYRDNSIRHHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-ethoxyphenyl)-2-hydroxyacetamide
• IUPAC Traditional name: N-(4-ethoxyphenyl)-2-hydroxyacetamide
• Synonyms: N-(4-ethoxyphenyl)-2-hydroxyacetamide

Database IDs

• CAS Number: 22521-79-5
• MDL Number: MFCD00868993
• PubChem SID: 164319408
• PubChem CID: 3084372

CALCULATED PROPERTIES

• Acid pKa: 13.192777
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.59284484
• LogD (pH = 7.4): 0.5928441
• Log P: 0.59284484
• Molar Refractivity: 53.835 cm^3
• Polarizability: 20.202496 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 150 - 152°C
• Hydrophobicity(logP): 1.101

Product Information

• Purity: 95%; 95+%