N-[2-(1H-indol-3-yl)ethyl]-2-[1-(2-methoxyethyl)-1H-indol-3-yl]acetamide

• ChemBase ID: 226514
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: c1(cn(c2c1cccc2)CCOC)CC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COCCn1cc(c2c1cccc2)CC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C23H25N3O2/c1-28-13-12-26-16-18(20-7-3-5-9-22(20)26)14-23(27)24-11-10-17-15-25-21-8-4-2-6-19(17)21/h2-9,15-16,25H,10-14H2,1H3,(H,24,27)
• InChIKey: OJSIAUJYOUKWFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-2-[1-(2-methoxyethyl)-1H-indol-3-yl]acetamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-2-[1-(2-methoxyethyl)indol-3-yl]acetamide

Database IDs

• PubChem SID: 164282424
• PubChem CID: 71753679

CALCULATED PROPERTIES

• Acid pKa: 15.782188
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.4150865
• LogD (pH = 7.4): 3.4150865
• Log P: 3.4150865
• Molar Refractivity: 111.5653 cm^3
• Polarizability: 45.110527 Å^3
• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds