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

• ChemBase ID: 195710
• Molecular Formular: C24H23NO5
• Molecular Mass: 405.44312
• Monoisotopic Mass: 405.15762284
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CCC(=O)Nc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)NC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C24H23NO5/c1-13-15(3)29-21-12-22-20(11-19(13)21)14(2)18(24(27)30-22)8-9-23(26)25-16-6-5-7-17(10-16)28-4/h5-7,10-12H,8-9H2,1-4H3,(H,25,26)
• InChIKey: REGFPOMGCNFGNL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251620
• PubChem CID: 1799194

CALCULATED PROPERTIES

• Acid pKa: 13.770708
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.195937
• LogD (pH = 7.4): 4.1959367
• Log P: 4.195937
• Molar Refractivity: 114.8276 cm^3
• Polarizability: 44.272755 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds