N-(2-hydroxyethyl)-2-[4-(6-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]acetamide

• ChemBase ID: 220097
• Molecular Formular: C20H19NO6
• Molecular Mass: 369.36796
• Monoisotopic Mass: 369.12123733
• SMILES: c1(c(=O)oc2c(c1)cc(cc2)OC)c1ccc(OCC(=O)NCCO)cc1
• Canonical SMILES: OCCNC(=O)COc1ccc(cc1)c1cc2cc(OC)ccc2oc1=O
• InChI: InChI=1S/C20H19NO6/c1-25-16-6-7-18-14(10-16)11-17(20(24)27-18)13-2-4-15(5-3-13)26-12-19(23)21-8-9-22/h2-7,10-11,22H,8-9,12H2,1H3,(H,21,23)
• InChIKey: XWACKHIMKJDYCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-hydroxyethyl)-2-[4-(6-methoxy-2-oxo-2H-chromen-3-yl)phenoxy]acetamide
• IUPAC Traditional name: N-(2-hydroxyethyl)-2-[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]acetamide

Database IDs

• PubChem SID: 164276007
• PubChem CID: 17571949

CALCULATED PROPERTIES

• Acid pKa: 14.423798
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 1.3407196
• LogD (pH = 7.4): 1.3407196
• Log P: 1.3407196
• Molar Refractivity: 98.0229 cm^3
• Polarizability: 37.77512 Å^3
• Polar Surface Area: 94.09 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds