N-cyclopropyl-3-{2,5,9-trimethyl-7-oxo-3-phenyl-7H-furo[3,2-g]chromen-6-yl}propanamide

• ChemBase ID: 214557
• Molecular Formular: C26H25NO4
• Molecular Mass: 415.481
• Monoisotopic Mass: 415.17835829
• SMILES: c12c(c(c(c(=O)o1)CCC(=O)NC1CC1)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: O=C(NC1CC1)CCc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C
• InChI: InChI=1S/C26H25NO4/c1-14-19(11-12-22(28)27-18-9-10-18)26(29)31-24-15(2)25-21(13-20(14)24)23(16(3)30-25)17-7-5-4-6-8-17/h4-8,13,18H,9-12H2,1-3H3,(H,27,28)
• InChIKey: RISWZYFAGVAJGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270467
• PubChem CID: 4967833

CALCULATED PROPERTIES

• Acid pKa: 15.282153
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.448829
• LogD (pH = 7.4): 4.4488297
• Log P: 4.4488297
• Molar Refractivity: 119.1534 cm^3
• Polarizability: 47.951366 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds