N-(3-methoxypropyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 196343
• Molecular Formular: C16H19NO5
• Molecular Mass: 305.32576
• Monoisotopic Mass: 305.12632271
• SMILES: c12oc(=O)cc(c1ccc(c2)OCC(=O)NCCCOC)C
• Canonical SMILES: COCCCNC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C16H19NO5/c1-11-8-16(19)22-14-9-12(4-5-13(11)14)21-10-15(18)17-6-3-7-20-2/h4-5,8-9H,3,6-7,10H2,1-2H3,(H,17,18)
• InChIKey: DEXMERMUGWNWOM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-(3-methoxypropyl)-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164252253
• PubChem CID: 1800652

CALCULATED PROPERTIES

• Acid pKa: 14.731829
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.83278394
• LogD (pH = 7.4): 0.83278394
• Log P: 0.83278394
• Molar Refractivity: 81.0062 cm^3
• Polarizability: 31.202366 Å^3
• Polar Surface Area: 73.86 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds