N-[2-(4-methoxyphenyl)ethyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 196957
• Molecular Formular: C26H23NO5
• Molecular Mass: 429.46452
• Monoisotopic Mass: 429.15762284
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCCc1ccc(cc1)OC)cc2)c1ccccc1
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C26H23NO5/c1-30-20-9-7-18(8-10-20)13-14-27-25(28)17-31-21-11-12-22-23(19-5-3-2-4-6-19)16-26(29)32-24(22)15-21/h2-12,15-16H,13-14,17H2,1H3,(H,27,28)
• InChIKey: WXSXQIBMMHKWOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-2-[(2-oxo-4-phenyl-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-2-[(2-oxo-4-phenylchromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164252867
• PubChem CID: 1749996

CALCULATED PROPERTIES

• Acid pKa: 14.57155
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.8090668
• LogD (pH = 7.4): 3.8090668
• Log P: 3.8090668
• Molar Refractivity: 130.1988 cm^3
• Polarizability: 46.642292 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds