N-(4-hydroxyphenyl)-N-methylacetamide

• ChemBase ID: 117202
• Molecular Formular: C9H11NO2
• Molecular Mass: 165.18914
• Monoisotopic Mass: 165.0789786
• SMILES: N(C(=O)C)(c1ccc(cc1)O)C
• Canonical SMILES: CN(c1ccc(cc1)O)C(=O)C
• InChI: InChI=1S/C9H11NO2/c1-7(11)10(2)8-3-5-9(12)6-4-8/h3-6,12H,1-2H3
• InChIKey: STOAGEBURGENGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-hydroxyphenyl)-N-methylacetamide
• IUPAC Traditional name: N-methyl P-hydroxyacetanilide
• Synonyms: N-(4-hydroxyphenyl)-N-methylacetamide

Database IDs

• MDL Number: MFCD00872063
• PubChem SID: 162102250
• PubChem CID: 221111

CALCULATED PROPERTIES

• Acid pKa: 9.427911
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.77140594
• LogD (pH = 7.4): 0.7674272
• Log P: 0.77145696
• Molar Refractivity: 46.0178 cm^3
• Polarizability: 17.652882 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 1.086
• Hydrophobicity(logP): 0.44

Product Information

• Purity: 95%; 95+%