N-{4-[(5-formyl-2-methoxyphenyl)methoxy]phenyl}acetamide

• ChemBase ID: 119122
• Molecular Formular: C17H17NO4
• Molecular Mass: 299.32118
• Monoisotopic Mass: 299.11575803
• SMILES: c1(c(ccc(c1)C=O)OC)COc1ccc(NC(=O)C)cc1
• Canonical SMILES: COc1ccc(cc1COc1ccc(cc1)NC(=O)C)C=O
• InChI: InChI=1S/C17H17NO4/c1-12(20)18-15-4-6-16(7-5-15)22-11-14-9-13(10-19)3-8-17(14)21-2/h3-10H,11H2,1-2H3,(H,18,20)
• InChIKey: QYNVGINSVSUULG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{4-[(5-formyl-2-methoxyphenyl)methoxy]phenyl}acetamide
• IUPAC Traditional name: N-{4-[(5-formyl-2-methoxyphenyl)methoxy]phenyl}acetamide
• Synonyms: N-(4-((5-formyl-2-methoxybenzyl)oxy)phenyl)acetamide

Database IDs

• PubChem SID: 162107321
• PubChem CID: 915397

CALCULATED PROPERTIES

• Acid pKa: 14.962908
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3325891
• LogD (pH = 7.4): 2.3325891
• Log P: 2.3325891
• Molar Refractivity: 85.044 cm^3
• Polarizability: 31.728737 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true