N-(3,5-dimethoxyphenyl)-3-{3,5-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl}propanamide

• ChemBase ID: 198057
• Molecular Formular: C24H23NO6
• Molecular Mass: 421.44252
• Monoisotopic Mass: 421.15253746
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CCC(=O)Nc1cc(cc(c1)OC)OC
• Canonical SMILES: COc1cc(NC(=O)CCc2c(=O)oc3c(c2C)cc2c(c3)occ2C)cc(c1)OC
• InChI: InChI=1S/C24H23NO6/c1-13-12-30-21-11-22-20(10-19(13)21)14(2)18(24(27)31-22)5-6-23(26)25-15-7-16(28-3)9-17(8-15)29-4/h7-12H,5-6H2,1-4H3,(H,25,26)
• InChIKey: QDHXHKBJSUJVCC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164253967
• PubChem CID: 1752334

CALCULATED PROPERTIES

• Acid pKa: 13.422674
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.8387043
• LogD (pH = 7.4): 3.838704
• Log P: 3.8387043
• Molar Refractivity: 116.1411 cm^3
• Polarizability: 45.031284 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