N-(4-hydroxyphenyl)-2-methoxyacetamide

• ChemBase ID: 274290
• Molecular Formular: C9H11NO3
• Molecular Mass: 181.18854
• Monoisotopic Mass: 181.07389322
• SMILES: C(=O)(Nc1ccc(cc1)O)COC
• Canonical SMILES: COCC(=O)Nc1ccc(cc1)O
• InChI: InChI=1S/C9H11NO3/c1-13-6-9(12)10-7-2-4-8(11)5-3-7/h2-5,11H,6H2,1H3,(H,10,12)
• InChIKey: NSZUGQROUUTGGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD05155980
• PubChem SID: 164330200
• PubChem CID: 836717

CALCULATED PROPERTIES

• Acid pKa: 9.436944
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.7332194
• LogD (pH = 7.4): 0.72932214
• Log P: 0.73326933
• Molar Refractivity: 49.3553 cm^3
• Polarizability: 18.370125 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): 0.289

Product Information

• Purity: 95%