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

• ChemBase ID: 197640
• Molecular Formular: C23H27NO4
• Molecular Mass: 381.46478
• Monoisotopic Mass: 381.19400835
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CCC(=O)NC1CCCCC1
• Canonical SMILES: O=C(NC1CCCCC1)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C23H27NO4/c1-13-15(3)27-20-12-21-19(11-18(13)20)14(2)17(23(26)28-21)9-10-22(25)24-16-7-5-4-6-8-16/h11-12,16H,4-10H2,1-3H3,(H,24,25)
• InChIKey: JLJSRTGUPONAJQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164253550
• PubChem CID: 1751609

CALCULATED PROPERTIES

• Acid pKa: 15.153349
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.1353073
• LogD (pH = 7.4): 4.13531
• Log P: 4.13531
• Molar Refractivity: 107.8202 cm^3
• Polarizability: 42.493557 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