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

• ChemBase ID: 214361
• Molecular Formular: C21H25NO5
• Molecular Mass: 371.4269
• Monoisotopic Mass: 371.17327291
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NCCCOC)C
• Canonical SMILES: COCCCNC(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C
• InChI: InChI=1S/C21H25NO5/c1-11-9-16-19(20-18(11)12(2)14(4)26-20)13(3)15(21(24)27-16)10-17(23)22-7-6-8-25-5/h9H,6-8,10H2,1-5H3,(H,22,23)
• InChIKey: VUQYKMVBFVXYFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164270271
• PubChem CID: 4869876

CALCULATED PROPERTIES

• Acid pKa: 14.698774
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.4178767
• LogD (pH = 7.4): 2.4178767
• Log P: 2.4178767
• Molar Refractivity: 103.1551 cm^3
• Polarizability: 40.158863 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