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

• ChemBase ID: 214650
• Molecular Formular: C25H23NO4
• Molecular Mass: 401.45442
• Monoisotopic Mass: 401.16270822
• SMILES: c12c(c(c(c(=O)o1)CC(=O)NC1CC1)C)cc1c(oc(c1c1ccccc1)C)c2C
• Canonical SMILES: O=C(Cc1c(=O)oc2c(c1C)cc1c(c2C)oc(c1c1ccccc1)C)NC1CC1
• InChI: InChI=1S/C25H23NO4/c1-13-18-11-20-22(16-7-5-4-6-8-16)15(3)29-24(20)14(2)23(18)30-25(28)19(13)12-21(27)26-17-9-10-17/h4-8,11,17H,9-10,12H2,1-3H3,(H,26,27)
• InChIKey: IXMPECBSPKENRD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270560
• PubChem CID: 4968009

CALCULATED PROPERTIES

• Acid pKa: 14.6655
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.004261
• LogD (pH = 7.4): 4.004261
• Log P: 4.004261
• Molar Refractivity: 114.5524 cm^3
• Polarizability: 46.105812 Å^3
• Polar Surface Area: 68.54 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds