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

• ChemBase ID: 219617
• Molecular Formular: C24H32N2O4
• Molecular Mass: 412.52188
• Monoisotopic Mass: 412.23620751
• SMILES: c12c(c(c(=O)oc2cc(c2c1oc(c2C)C)C)CC(=O)NCC(CN(C)C)(C)C)C
• Canonical SMILES: CN(CC(CNC(=O)Cc1c(=O)oc2c(c1C)c1oc(c(c1c(c2)C)C)C)(C)C)C
• InChI: InChI=1S/C24H32N2O4/c1-13-9-18-21(22-20(13)14(2)16(4)29-22)15(3)17(23(28)30-18)10-19(27)25-11-24(5,6)12-26(7)8/h9H,10-12H2,1-8H3,(H,25,27)
• InChIKey: POQDCHMVDZSDPD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164275527
• PubChem CID: 16409512

CALCULATED PROPERTIES

• Acid pKa: 14.732984
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.12421103
• LogD (pH = 7.4): 1.5417773
• Log P: 3.455172
• Molar Refractivity: 118.89 cm^3
• Polarizability: 46.517178 Å^3
• Polar Surface Area: 71.78 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds