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

• ChemBase ID: 196521
• Molecular Formular: C22H17NO5
• Molecular Mass: 375.37408
• Monoisotopic Mass: 375.11067265
• SMILES: c1(c2c(oc(=O)c1)cc(OCC(=O)NCc1occc1)cc2)c1ccccc1
• Canonical SMILES: O=C(NCc1ccco1)COc1ccc2c(c1)oc(=O)cc2c1ccccc1
• InChI: InChI=1S/C22H17NO5/c24-21(23-13-17-7-4-10-26-17)14-27-16-8-9-18-19(15-5-2-1-3-6-15)12-22(25)28-20(18)11-16/h1-12H,13-14H2,(H,23,24)
• InChIKey: UPAKTFDDJLPFCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252431
• PubChem CID: 1801070

CALCULATED PROPERTIES

• Acid pKa: 12.170029
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7383235
• LogD (pH = 7.4): 2.738317
• Log P: 2.7383235
• Molar Refractivity: 111.3715 cm^3
• Polarizability: 39.156574 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds