2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide

• ChemBase ID: 11125
• Molecular Formular: C18H19NO5
• Molecular Mass: 329.34716
• Monoisotopic Mass: 329.12632271
• SMILES: c1ccc(c(c1)NC(=O)COc1c(cc(cc1)C=O)OCC)OC
• Canonical SMILES: CCOc1cc(C=O)ccc1OCC(=O)Nc1ccccc1OC
• InChI: InChI=1S/C18H19NO5/c1-3-23-17-10-13(11-20)8-9-16(17)24-12-18(21)19-14-6-4-5-7-15(14)22-2/h4-11H,3,12H2,1-2H3,(H,19,21)
• InChIKey: IJDFHMWXNJOGEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
• IUPAC Traditional name: 2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyphenyl)acetamide
• Synonyms: 2-(2-Ethoxy-4-formyl-phenoxy)-N-(2-methoxyphenyl)-acetamide

Database IDs

• MDL Number: MFCD01860816
• PubChem SID: 160974432
• PubChem CID: 774732

CALCULATED PROPERTIES

• Acid pKa: 11.619249
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.4818273
• LogD (pH = 7.4): 2.4818025
• Log P: 2.4818275
• Molar Refractivity: 91.1421 cm^3
• Polarizability: 34.269764 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false