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

• ChemBase ID: 195793
• Molecular Formular: C21H25NO5
• Molecular Mass: 371.4269
• Monoisotopic Mass: 371.17327291
• SMILES: c1(c(c2c(oc1=O)cc1c(c(c(o1)C)C)c2)C)CCC(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)oc(c1C)C
• InChI: InChI=1S/C21H25NO5/c1-12-14(3)26-18-11-19-17(10-16(12)18)13(2)15(21(24)27-19)6-7-20(23)22-8-5-9-25-4/h10-11H,5-9H2,1-4H3,(H,22,23)
• InChIKey: RAGOPFWKCICHDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164251703
• PubChem CID: 1799398

CALCULATED PROPERTIES

• LogD (pH = 7.4): 2.349024
• Log P: 2.349024
• Molar Refractivity: 102.7149 cm^3
• Polarizability: 40.23352 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• Acid pKa: 15.165677
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.349023

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds