N-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxy-1H-indol-1-yl)propanamide

• ChemBase ID: 223390
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: c12ccn(c1cccc2OC)CCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cccc2c1ccn2CCC(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C22H23N3O2/c1-27-21-8-4-7-20-18(21)10-13-25(20)14-11-22(26)23-12-9-16-15-24-19-6-3-2-5-17(16)19/h2-8,10,13,15,24H,9,11-12,14H2,1H3,(H,23,26)
• InChIKey: IOKDZLIVUABUIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxy-1H-indol-1-yl)propanamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-3-(4-methoxyindol-1-yl)propanamide

Database IDs

• PubChem SID: 164279300
• PubChem CID: 49652192

CALCULATED PROPERTIES

• Acid pKa: 15.75189
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3816383
• LogD (pH = 7.4): 3.3816385
• Log P: 3.3816385
• Molar Refractivity: 106.4614 cm^3
• Polarizability: 43.33651 Å^3
• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds