N-(5-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)acetamide

• ChemBase ID: 22847
• Molecular Formular: C16H18N2O4
• Molecular Mass: 302.32512
• Monoisotopic Mass: 302.12665707
• SMILES: c1(NC(=O)COc2ccc(cc2)OC)cc(N)ccc1OC
• Canonical SMILES: COc1ccc(cc1)OCC(=O)Nc1cc(N)ccc1OC
• InChI: InChI=1S/C16H18N2O4/c1-20-12-4-6-13(7-5-12)22-10-16(19)18-14-9-11(17)3-8-15(14)21-2/h3-9H,10,17H2,1-2H3,(H,18,19)
• InChIKey: ZKCLBJGPMRRPAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(5-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)acetamide
• IUPAC Traditional name: N-(5-amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)acetamide
• Synonyms: N-(5-Amino-2-methoxyphenyl)-2-(4-methoxyphenoxy)-acetamide

Database IDs

• MDL Number: MFCD09997179
• PubChem SID: 160986154
• PubChem CID: 28306414

CALCULATED PROPERTIES

• Acid pKa: 11.566123
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.5363917
• LogD (pH = 7.4): 1.5829353
• Log P: 1.5835912
• Molar Refractivity: 84.5099 cm^3
• Polarizability: 31.667212 Å^3
• Polar Surface Area: 82.81 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false