N-(3-methoxypropyl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide

• ChemBase ID: 214644
• Molecular Formular: C20H23NO5
• Molecular Mass: 357.40032
• Monoisotopic Mass: 357.15762284
• SMILES: c1(c2c3occ(c3c(cc2oc(=O)c1CC(=O)NCCCOC)C)C)C
• Canonical SMILES: COCCCNC(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C
• InChI: InChI=1S/C20H23NO5/c1-11-8-15-18(19-17(11)12(2)10-25-19)13(3)14(20(23)26-15)9-16(22)21-6-5-7-24-4/h8,10H,5-7,9H2,1-4H3,(H,21,22)
• InChIKey: FWZLNMATUJJASQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-2-{3,4,9-trimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl}acetamide
• IUPAC Traditional name: N-(3-methoxypropyl)-2-{3,4,9-trimethyl-7-oxofuro[2,3-f]chromen-8-yl}acetamide

Database IDs

• PubChem SID: 164270554
• PubChem CID: 4967988

CALCULATED PROPERTIES

• Acid pKa: 14.683511
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2183154
• LogD (pH = 7.4): 2.2183154
• Log P: 2.2183154
• Molar Refractivity: 98.0054 cm^3
• Polarizability: 38.396976 Å^3
• Polar Surface Area: 77.77 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds