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

• ChemBase ID: 196130
• Molecular Formular: C25H21NO5
• Molecular Mass: 415.43794
• Monoisotopic Mass: 415.14197278
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCc1c(OC)cccc1)cc2)c1ccccc1
• Canonical SMILES: COc1ccccc1CNC(=O)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C25H21NO5/c1-29-22-10-6-5-9-18(22)15-26-24(27)16-30-19-11-12-20-21(17-7-3-2-4-8-17)14-25(28)31-23(20)13-19/h2-14H,15-16H2,1H3,(H,26,27)
• InChIKey: XHWIREJHJORTJD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252040
• PubChem CID: 1800135

CALCULATED PROPERTIES

• Acid pKa: 13.468249
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.5204055
• LogD (pH = 7.4): 3.5204053
• Log P: 3.5204055
• Molar Refractivity: 125.4438 cm^3
• Polarizability: 44.799168 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