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

• ChemBase ID: 197791
• Molecular Formular: C25H21NO5
• Molecular Mass: 415.43794
• Monoisotopic Mass: 415.14197278
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)Nc1ccc(cc1)OCC)cc2)c1ccccc1
• Canonical SMILES: CCOc1ccc(cc1)NC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C25H21NO5/c1-2-29-19-10-8-18(9-11-19)26-24(27)16-30-20-12-13-21-22(17-6-4-3-5-7-17)15-25(28)31-23(21)14-20/h3-15H,2,16H2,1H3,(H,26,27)
• InChIKey: RYYUUEOKTKFKGT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164253701
• PubChem CID: 3841044

CALCULATED PROPERTIES

• Acid pKa: 12.707813
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 4.1703086
• LogD (pH = 7.4): 4.1703067
• Log P: 4.1703086
• Molar Refractivity: 127.1382 cm^3
• Polarizability: 44.789406 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds