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

• ChemBase ID: 214721
• Molecular Formular: C26H27NO5
• Molecular Mass: 433.49628
• Monoisotopic Mass: 433.18892297
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NCCCOC)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: COCCCNC(=O)Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C
• InChI: InChI=1S/C26H27NO5/c1-15-19-13-21-23(18-9-6-5-7-10-18)17(3)31-25(21)16(2)24(19)32-26(29)20(15)14-22(28)27-11-8-12-30-4/h5-7,9-10,13H,8,11-12,14H2,1-4H3,(H,27,28)
• InChIKey: BFELKLVOBMHNMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270631
• PubChem CID: 4968111

CALCULATED PROPERTIES

• Acid pKa: 14.748479
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.5516808
• LogD (pH = 7.4): 3.5516808
• Log P: 3.5516808
• Molar Refractivity: 123.2501 cm^3
• Polarizability: 49.356487 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