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

• ChemBase ID: 214206
• Molecular Formular: C24H23NO5
• Molecular Mass: 405.44312
• Monoisotopic Mass: 405.15762284
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NCCOC)C)cc1c(c2C)occ1c1ccccc1
• Canonical SMILES: COCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1c1ccccc1
• InChI: InChI=1S/C24H23NO5/c1-14-17-11-19-20(16-7-5-4-6-8-16)13-29-22(19)15(2)23(17)30-24(27)18(14)12-21(26)25-9-10-28-3/h4-8,11,13H,9-10,12H2,1-3H3,(H,25,26)
• InChIKey: VNEJHVWFDJFXMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270116
• PubChem CID: 4869649

CALCULATED PROPERTIES

• Acid pKa: 14.711275
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2921598
• LogD (pH = 7.4): 3.2921598
• Log P: 3.2921598
• Molar Refractivity: 113.235 cm^3
• Polarizability: 45.748245 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