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

• ChemBase ID: 225429
• Molecular Formular: C22H23N3O3
• Molecular Mass: 377.43632
• Monoisotopic Mass: 377.17394161
• SMILES: n1(c2c(cc1)c(OC)ccc2)CC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)Cn1ccc3c1cccc3OC)c[nH]2
• InChI: InChI=1S/C22H23N3O3/c1-27-16-6-7-19-18(12-16)15(13-24-19)8-10-23-22(26)14-25-11-9-17-20(25)4-3-5-21(17)28-2/h3-7,9,11-13,24H,8,10,14H2,1-2H3,(H,23,26)
• InChIKey: BUTZXRYDFQGYIY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281339
• PubChem CID: 56763630

CALCULATED PROPERTIES

• Acid pKa: 15.413737
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.9869545
• LogD (pH = 7.4): 2.9869545
• Log P: 2.9869545
• Molar Refractivity: 108.2252 cm^3
• Polarizability: 43.9717 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds