N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide

• ChemBase ID: 272725
• Molecular Formular: C10H13NO3
• Molecular Mass: 195.21512
• Monoisotopic Mass: 195.08954328
• SMILES: C(=O)(Cc1ccc(cc1)O)NCCO
• Canonical SMILES: OCCNC(=O)Cc1ccc(cc1)O
• InChI: InChI=1S/C10H13NO3/c12-6-5-11-10(14)7-8-1-3-9(13)4-2-8/h1-4,12-13H,5-7H2,(H,11,14)
• InChIKey: BIIMZJPXQFFADK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide
• Synonyms: N-(2-hydroxyethyl)-2-(4-hydroxyphenyl)acetamide

Database IDs

• MDL Number: MFCD12179284
• PubChem SID: 164328635
• PubChem CID: 43393133

CALCULATED PROPERTIES

• Acid pKa: 9.497344
• H Acceptors: 3
• H Donor: 3
• LogD (pH = 5.5): 0.034016773
• LogD (pH = 7.4): 0.03062328
• Log P: 0.034060225
• Molar Refractivity: 52.3577 cm^3
• Polarizability: 20.143023 Å^3
• Polar Surface Area: 69.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 134 - 136°C
• Hydrophobicity(logP): -0.356

Product Information

• Purity: 95%