N-(3,4-dimethoxyphenyl)-2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide

• ChemBase ID: 213950
• Molecular Formular: C24H23NO6
• Molecular Mass: 421.44252
• Monoisotopic Mass: 421.15253746
• SMILES: c12c(c(c(c(=O)o1)CC(=O)Nc1cc(c(cc1)OC)OC)C)cc1c(c2C)occ1C
• Canonical SMILES: COc1cc(ccc1OC)NC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C
• InChI: InChI=1S/C24H23NO6/c1-12-11-30-22-14(3)23-17(9-16(12)22)13(2)18(24(27)31-23)10-21(26)25-15-6-7-19(28-4)20(8-15)29-5/h6-9,11H,10H2,1-5H3,(H,25,26)
• InChIKey: DQFNMTVNENPKAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,4-dimethoxyphenyl)-2-{3,5,9-trimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}acetamide
• IUPAC Traditional name: N-(3,4-dimethoxyphenyl)-2-{3,5,9-trimethyl-7-oxofuro[3,2-g]chromen-6-yl}acetamide

Database IDs

• PubChem SID: 164269860
• PubChem CID: 4869191

CALCULATED PROPERTIES

• Acid pKa: 10.942226
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.9075556
• LogD (pH = 7.4): 3.9074326
• Log P: 3.9075572
• Molar Refractivity: 116.5813 cm^3
• Polarizability: 44.95694 Å^3
• Polar Surface Area: 87.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds