N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-(1-methyl-1H-indol-3-yl)butanamide

• ChemBase ID: 227762
• Molecular Formular: C22H24N2O3
• Molecular Mass: 364.43756
• Monoisotopic Mass: 364.17869264
• SMILES: n1(cc(c2c1cccc2)CCCC(=O)NCC(=O)c1ccc(cc1)OC)C
• Canonical SMILES: COc1ccc(cc1)C(=O)CNC(=O)CCCc1cn(c2c1cccc2)C
• InChI: InChI=1S/C22H24N2O3/c1-24-15-17(19-7-3-4-8-20(19)24)6-5-9-22(26)23-14-21(25)16-10-12-18(27-2)13-11-16/h3-4,7-8,10-13,15H,5-6,9,14H2,1-2H3,(H,23,26)
• InChIKey: HTNLHIHPSMBOOB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-(1-methyl-1H-indol-3-yl)butanamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)-2-oxoethyl]-4-(1-methylindol-3-yl)butanamide

Database IDs

• PubChem SID: 164283672
• PubChem CID: 71754882

CALCULATED PROPERTIES

• Acid pKa: 13.38237
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.313854
• LogD (pH = 7.4): 3.3138537
• Log P: 3.313854
• Molar Refractivity: 105.6346 cm^3
• Polarizability: 41.72263 Å^3
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds