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

• ChemBase ID: 226234
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: c12ccn(c1cccc2OC)CCC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COc1ccc2c(c1)c(CCNC(=O)CCn1ccc3c1cccc3OC)c[nH]2
• InChI: InChI=1S/C23H25N3O3/c1-28-17-6-7-20-19(14-17)16(15-25-20)8-11-24-23(27)10-13-26-12-9-18-21(26)4-3-5-22(18)29-2/h3-7,9,12,14-15,25H,8,10-11,13H2,1-2H3,(H,24,27)
• InChIKey: OZVTYFRRWLVBBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282144
• PubChem CID: 71692198

CALCULATED PROPERTIES

• Acid pKa: 15.705369
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.223967
• LogD (pH = 7.4): 3.223967
• Log P: 3.223967
• Molar Refractivity: 112.9246 cm^3
• Polarizability: 45.81813 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds