N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(4-methyl-1H-indol-1-yl)acetamide

• ChemBase ID: 225793
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: n1(c2c(cc1)c(ccc2)C)CC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)Cn1ccc3c1cccc3C)c[nH]2
• InChI: InChI=1S/C22H23N3O2/c1-15-4-3-5-21-18(15)9-11-25(21)14-22(26)23-10-8-16-13-24-20-7-6-17(27-2)12-19(16)20/h3-7,9,11-13,24H,8,10,14H2,1-2H3,(H,23,26)
• InChIKey: LSLFYBBENYLXKP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(4-methyl-1H-indol-1-yl)acetamide
• IUPAC Traditional name: N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(4-methylindol-1-yl)acetamide

Database IDs

• PubChem SID: 164281703
• PubChem CID: 71753564

CALCULATED PROPERTIES

• Acid pKa: 15.599887
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.658047
• LogD (pH = 7.4): 3.658047
• Log P: 3.658047
• Molar Refractivity: 106.8032 cm^3
• Polarizability: 43.250538 Å^3
• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds