N-(2H-1,3-benzodioxol-5-yl)-2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

• ChemBase ID: 214457
• Molecular Formular: C24H23NO7
• Molecular Mass: 437.44192
• Monoisotopic Mass: 437.14745208
• SMILES: c12c(c(cc(=O)o2)C)c(cc2c1CCC(O2)(C)C)OCC(=O)Nc1cc2c(OCO2)cc1
• Canonical SMILES: O=C(Nc1ccc2c(c1)OCO2)COc1cc2OC(C)(C)CCc2c2c1c(C)cc(=O)o2
• InChI: InChI=1S/C24H23NO7/c1-13-8-21(27)31-23-15-6-7-24(2,3)32-17(15)10-19(22(13)23)28-11-20(26)25-14-4-5-16-18(9-14)30-12-29-16/h4-5,8-10H,6-7,11-12H2,1-3H3,(H,25,26)
• InChIKey: YNOORVUMWUVIET-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2H-1,3-benzodioxol-5-yl)-2-({4,8,8-trimethyl-2-oxo-2H,8H,9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide
• IUPAC Traditional name: N-(2H-1,3-benzodioxol-5-yl)-2-({4,8,8-trimethyl-2-oxo-9H,10H-pyrano[2,3-h]chromen-5-yl}oxy)acetamide

Database IDs

• PubChem SID: 164270367
• PubChem CID: 4967615

CALCULATED PROPERTIES

• Acid pKa: 12.583235
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 3.4845393
• LogD (pH = 7.4): 3.4845364
• Log P: 3.4845393
• Molar Refractivity: 115.8534 cm^3
• Polarizability: 44.287464 Å^3
• Polar Surface Area: 92.32 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds