N-[1-(2-methoxyethyl)-1H-indol-4-yl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide

• ChemBase ID: 225724
• Molecular Formular: C23H22N2O5
• Molecular Mass: 406.43118
• Monoisotopic Mass: 406.15287181
• SMILES: c12ccn(c1cccc2NC(=O)COc1cc2oc(=O)cc(c2cc1)C)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)COc1ccc2c(c1)oc(=O)cc2C
• InChI: InChI=1S/C23H22N2O5/c1-15-12-23(27)30-21-13-16(6-7-17(15)21)29-14-22(26)24-19-4-3-5-20-18(19)8-9-25(20)10-11-28-2/h3-9,12-13H,10-11,14H2,1-2H3,(H,24,26)
• InChIKey: UQMIUNFIEKVPQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methoxyethyl)-1H-indol-4-yl]-2-[(4-methyl-2-oxo-2H-chromen-7-yl)oxy]acetamide
• IUPAC Traditional name: N-[1-(2-methoxyethyl)indol-4-yl]-2-[(4-methyl-2-oxochromen-7-yl)oxy]acetamide

Database IDs

• PubChem SID: 164281634
• PubChem CID: 71753500

CALCULATED PROPERTIES

• Acid pKa: 12.136071
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.1128306
• LogD (pH = 7.4): 3.112823
• Log P: 3.1128306
• Molar Refractivity: 113.6824 cm^3
• Polarizability: 44.02542 Å^3
• Polar Surface Area: 78.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds