2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-methoxyethyl)acetamide

• ChemBase ID: 211833
• Molecular Formular: C15H17NO5
• Molecular Mass: 291.29918
• Monoisotopic Mass: 291.11067265
• SMILES: c1(c(=O)oc2c(c1C)ccc(c2)O)CC(=O)NCCOC
• Canonical SMILES: COCCNC(=O)Cc1c(=O)oc2c(c1C)ccc(c2)O
• InChI: InChI=1S/C15H17NO5/c1-9-11-4-3-10(17)7-13(11)21-15(19)12(9)8-14(18)16-5-6-20-2/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)
• InChIKey: LQZIKAAMDKFVBW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(7-hydroxy-4-methyl-2-oxo-2H-chromen-3-yl)-N-(2-methoxyethyl)acetamide
• IUPAC Traditional name: 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)-N-(2-methoxyethyl)acetamide

Database IDs

• PubChem SID: 164267743
• PubChem CID: 6217320

CALCULATED PROPERTIES

• Acid pKa: 7.766806
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 0.66649586
• LogD (pH = 7.4): 0.5147488
• Log P: 0.66882426
• Molar Refractivity: 76.1974 cm^3
• Polarizability: 29.30107 Å^3
• Polar Surface Area: 84.86 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds