N-(4-acetyl-3-methoxyphenyl)acetamide

• ChemBase ID: 241400
• Molecular Formular: C11H13NO3
• Molecular Mass: 207.22582
• Monoisotopic Mass: 207.08954328
• SMILES: c1(c(cc(NC(=O)C)cc1)OC)C(=O)C
• Canonical SMILES: COc1cc(ccc1C(=O)C)NC(=O)C
• InChI: InChI=1S/C11H13NO3/c1-7(13)10-5-4-9(12-8(2)14)6-11(10)15-3/h4-6H,1-3H3,(H,12,14)
• InChIKey: KPCQPYBEAUHVGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-acetyl-3-methoxyphenyl)acetamide
• IUPAC Traditional name: N-(4-acetyl-3-methoxyphenyl)acetamide
• Synonyms: N-(4-acetyl-3-methoxyphenyl)acetamide

Database IDs

• MDL Number: MFCD17169520
• PubChem SID: 164297310
• PubChem CID: 13221159

CALCULATED PROPERTIES

• Acid pKa: 13.530877
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.6109324
• LogD (pH = 7.4): 0.6109321
• Log P: 0.6109324
• Molar Refractivity: 57.787 cm^3
• Polarizability: 21.476421 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 130 - 132°C
• Hydrophobicity(logP): 1.133

Product Information

• Purity: 95%