N-[(3,4-dimethoxyphenyl)methyl]-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 214345
• Molecular Formular: C25H25NO6
• Molecular Mass: 435.4691
• Monoisotopic Mass: 435.16818753
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)NCc1cc(c(cc1)OC)OC)C)C)C
• Canonical SMILES: COc1ccc(cc1OC)CNC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C
• InChI: InChI=1S/C25H25NO6/c1-13-8-20-23(24-22(13)14(2)12-31-24)15(3)17(25(28)32-20)10-21(27)26-11-16-6-7-18(29-4)19(9-16)30-5/h6-9,12H,10-11H2,1-5H3,(H,26,27)
• InChIKey: RPVSYEKCZJJXQT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-2-{3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164270255
• PubChem CID: 4869860

CALCULATED PROPERTIES

• Acid pKa: 14.53801
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.614462
• LogD (pH = 7.4): 3.614462
• Log P: 3.614462
• Molar Refractivity: 119.6355 cm^3
• Polarizability: 46.806133 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds