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

• ChemBase ID: 196707
• Molecular Formular: C20H23NO5
• Molecular Mass: 357.40032
• Monoisotopic Mass: 357.15762284
• SMILES: c1(c(c2c(oc1=O)cc1c(c2)c(co1)C)C)CCC(=O)NCCCOC
• Canonical SMILES: COCCCNC(=O)CCc1c(=O)oc2c(c1C)cc1c(c2)occ1C
• InChI: InChI=1S/C20H23NO5/c1-12-11-25-17-10-18-16(9-15(12)17)13(2)14(20(23)26-18)5-6-19(22)21-7-4-8-24-3/h9-11H,4-8H2,1-3H3,(H,21,22)
• InChIKey: DYXAQNNXZKDWCS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164252617
• PubChem CID: 1749432

CALCULATED PROPERTIES

• Acid pKa: 15.154573
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.1494617
• LogD (pH = 7.4): 2.1494627
• Log P: 2.1494627
• Molar Refractivity: 97.5652 cm^3
• Polarizability: 38.47141 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