N,N-dimethyl-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 186784
• Molecular Formular: C16H19NO4
• Molecular Mass: 289.32636
• Monoisotopic Mass: 289.13140809
• SMILES: c12oc(=O)c(c(c1ccc(c2C)OCC(=O)N(C)C)C)C
• Canonical SMILES: O=C(N(C)C)COc1ccc2c(c1C)oc(=O)c(c2C)C
• InChI: InChI=1S/C16H19NO4/c1-9-10(2)16(19)21-15-11(3)13(7-6-12(9)15)20-8-14(18)17(4)5/h6-7H,8H2,1-5H3
• InChIKey: KMRHLJDGJBQBDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[(3,4,8-trimethyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N,N-dimethyl-2-[(3,4,8-trimethyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164242694
• PubChem CID: 843236

CALCULATED PROPERTIES

• Acid pKa: 16.648481
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.9524477
• LogD (pH = 7.4): 1.9524477
• Log P: 1.9524477
• Molar Refractivity: 79.3923 cm^3
• Polarizability: 30.410582 Å^3
• Polar Surface Area: 55.84 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds