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

• ChemBase ID: 225651
• Molecular Formular: C21H21N3O2
• Molecular Mass: 347.41034
• Monoisotopic Mass: 347.16337693
• SMILES: n1(ccc2c1cccc2)CC(=O)Nc1c2ccn(c2ccc1)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)Cn1ccc2c1cccc2
• InChI: InChI=1S/C21H21N3O2/c1-26-14-13-23-12-10-17-18(6-4-8-20(17)23)22-21(25)15-24-11-9-16-5-2-3-7-19(16)24/h2-12H,13-15H2,1H3,(H,22,25)
• InChIKey: NYKMZIPLOPDANF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281561
• PubChem CID: 71753430

CALCULATED PROPERTIES

• Acid pKa: 12.546639
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.4834316
• LogD (pH = 7.4): 3.4834287
• Log P: 3.4834316
• Molar Refractivity: 103.4298 cm^3
• Polarizability: 41.409813 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