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

• ChemBase ID: 218502
• Molecular Formular: C20H23NO6
• Molecular Mass: 373.39972
• Monoisotopic Mass: 373.15253746
• SMILES: c1(c(c2c3c(c(cc2oc1=O)C)c(co3)C)C)CC(=O)N(CCO)CCO
• Canonical SMILES: OCCN(C(=O)Cc1c(=O)oc2c(c1C)c1occ(c1c(c2)C)C)CCO
• InChI: InChI=1S/C20H23NO6/c1-11-8-15-18(19-17(11)12(2)10-26-19)13(3)14(20(25)27-15)9-16(24)21(4-6-22)5-7-23/h8,10,22-23H,4-7,9H2,1-3H3
• InChIKey: DCDMCWAZRUCTBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164274412
• PubChem CID: 16408462

CALCULATED PROPERTIES

• Acid pKa: 14.513102
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0488032
• LogD (pH = 7.4): 1.0488032
• Log P: 1.0488033
• Molar Refractivity: 99.5778 cm^3
• Polarizability: 38.96304 Å^3
• Polar Surface Area: 100.21 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds