N-[1-(2-methoxyethyl)-1H-indol-4-yl]-2-(4-methyl-1H-indol-1-yl)acetamide

• ChemBase ID: 225496
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: n1(c2c(cc1)c(ccc2)C)CC(=O)Nc1c2ccn(c2ccc1)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)Cn1ccc2c1cccc2C
• InChI: InChI=1S/C22H23N3O2/c1-16-5-3-7-20-17(16)9-12-25(20)15-22(26)23-19-6-4-8-21-18(19)10-11-24(21)13-14-27-2/h3-12H,13-15H2,1-2H3,(H,23,26)
• InChIKey: UNBIXFQRDKOFDK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methoxyethyl)-1H-indol-4-yl]-2-(4-methyl-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-[1-(2-methoxyethyl)indol-4-yl]-2-(4-methylindol-1-yl)acetamide

Database IDs

• PubChem SID: 164281406
• PubChem CID: 56763689

CALCULATED PROPERTIES

• Acid pKa: 12.546639
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.9968529
• LogD (pH = 7.4): 3.99685
• Log P: 3.996853
• Molar Refractivity: 108.471 cm^3
• Polarizability: 43.17513 Å^3
• Polar Surface Area: 48.19 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds