N-(furan-2-ylmethyl)-3-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}propanamide

• ChemBase ID: 218857
• Molecular Formular: C24H27NO6
• Molecular Mass: 425.47428
• Monoisotopic Mass: 425.18383759
• SMILES: c12c(c(c(c(=O)o1)CCC(=O)NCc1occc1)C)c(cc1c2CCC(O1)(C)C)OC
• Canonical SMILES: COc1cc2OC(C)(C)CCc2c2c1c(C)c(CCC(=O)NCc1ccco1)c(=O)o2
• InChI: InChI=1S/C24H27NO6/c1-14-16(7-8-20(26)25-13-15-6-5-11-29-15)23(27)30-22-17-9-10-24(2,3)31-18(17)12-19(28-4)21(14)22/h5-6,11-12H,7-10,13H2,1-4H3,(H,25,26)
• InChIKey: XJQLPZMKIBWEAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-3-{5-methoxy-4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-3-yl}propanamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-3-{5-methoxy-4,8,8-trimethyl-2-oxo-9H,10H-pyrano[2,3-h]chromen-3-yl}propanamide

Database IDs

• PubChem SID: 164274767
• PubChem CID: 16408801

CALCULATED PROPERTIES

• Acid pKa: 13.259616
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1149197
• LogD (pH = 7.4): 3.1149192
• Log P: 3.11492
• Molar Refractivity: 114.6715 cm^3
• Polarizability: 44.199932 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