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

• ChemBase ID: 225941
• Molecular Formular: C24H27N3O3
• Molecular Mass: 405.48948
• Monoisotopic Mass: 405.20524174
• SMILES: c1(cn(c2c1cccc2)CCOC)CC(=O)NCCc1c2c([nH]c1)ccc(c2)OC
• Canonical SMILES: COCCn1cc(c2c1cccc2)CC(=O)NCCc1c[nH]c2c1cc(OC)cc2
• InChI: InChI=1S/C24H27N3O3/c1-29-12-11-27-16-18(20-5-3-4-6-23(20)27)13-24(28)25-10-9-17-15-26-22-8-7-19(30-2)14-21(17)22/h3-8,14-16,26H,9-13H2,1-2H3,(H,25,28)
• InChIKey: SRQPPCWZJDXCLP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281851
• PubChem CID: 71691940

CALCULATED PROPERTIES

• Acid pKa: 15.745579
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.257415
• LogD (pH = 7.4): 3.257415
• Log P: 3.257415
• Molar Refractivity: 118.0285 cm^3
• Polarizability: 47.592262 Å^3
• Polar Surface Area: 68.28 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds