N-(2-methoxyethyl)-2-{2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 214718
• Molecular Formular: C25H25NO5
• Molecular Mass: 419.4697
• Monoisotopic Mass: 419.17327291
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NCCOC)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: COCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C
• InChI: InChI=1S/C25H25NO5/c1-14-18-12-20-22(17-8-6-5-7-9-17)16(3)30-24(20)15(2)23(18)31-25(28)19(14)13-21(27)26-10-11-29-4/h5-9,12H,10-11,13H2,1-4H3,(H,26,27)
• InChIKey: XAEOVWWEUKOTTA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-2-{2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(2-methoxyethyl)-2-{2,5,9-trimethyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164270628
• PubChem CID: 4968108

CALCULATED PROPERTIES

• Acid pKa: 14.688235
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.491721
• LogD (pH = 7.4): 3.491721
• Log P: 3.491721
• Molar Refractivity: 118.3847 cm^3
• Polarizability: 47.511913 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