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

• ChemBase ID: 214681
• Molecular Formular: C24H23NO5
• Molecular Mass: 405.44312
• Monoisotopic Mass: 405.15762284
• SMILES: c1(c(c2c(oc1=O)cc1c(c(co1)c1ccccc1)c2)C)CCC(=O)NCCOC
• Canonical SMILES: COCCNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1c1ccccc1
• InChI: InChI=1S/C24H23NO5/c1-15-17(8-9-23(26)25-10-11-28-2)24(27)30-22-13-21-19(12-18(15)22)20(14-29-21)16-6-4-3-5-7-16/h3-7,12-14H,8-11H2,1-2H3,(H,25,26)
• InChIKey: HIHSOMVEMTUSNG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-methoxyethyl)-3-{5-methyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}propanamide
• IUPAC Traditional name: N-(2-methoxyethyl)-3-{5-methyl-7-oxo-3-phenylfuro[3,2-g]chromen-6-yl}propanamide

Database IDs

• PubChem SID: 164270591
• PubChem CID: 4968059

CALCULATED PROPERTIES

• Acid pKa: 15.239715
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2233067
• LogD (pH = 7.4): 3.223307
• Log P: 3.223307
• Molar Refractivity: 112.7948 cm^3
• Polarizability: 45.826496 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds