2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-(propan-2-yl)acetamide

• ChemBase ID: 214556
• Molecular Formular: C17H21NO4
• Molecular Mass: 303.35294
• Monoisotopic Mass: 303.14705816
• SMILES: c1(c(c(=O)oc2c1c(cc(c2)C)OC)CC(=O)NC(C)C)C
• Canonical SMILES: COc1cc(C)cc2c1c(C)c(c(=O)o2)CC(=O)NC(C)C
• InChI: InChI=1S/C17H21NO4/c1-9(2)18-15(19)8-12-11(4)16-13(21-5)6-10(3)7-14(16)22-17(12)20/h6-7,9H,8H2,1-5H3,(H,18,19)
• InChIKey: GTGABLMUNGSTDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxy-4,7-dimethyl-2-oxo-2H-chromen-3-yl)-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-2-(5-methoxy-4,7-dimethyl-2-oxochromen-3-yl)acetamide

Database IDs

• PubChem SID: 164270466
• PubChem CID: 4967832

CALCULATED PROPERTIES

• Acid pKa: 14.666477
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.148498
• LogD (pH = 7.4): 2.148498
• Log P: 2.148498
• Molar Refractivity: 83.8448 cm^3
• Polarizability: 32.2482 Å^3
• Polar Surface Area: 64.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds