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

• ChemBase ID: 225456
• Molecular Formular: C23H23N3O3
• Molecular Mass: 389.44702
• Monoisotopic Mass: 389.17394161
• SMILES: n1(cc(c2c1cccc2)C(=O)C)CC(=O)NCCn1c2c(cc1)cc(cc2)OC
• Canonical SMILES: COc1ccc2c(c1)ccn2CCNC(=O)Cn1cc(c2c1cccc2)C(=O)C
• InChI: InChI=1S/C23H23N3O3/c1-16(27)20-14-26(22-6-4-3-5-19(20)22)15-23(28)24-10-12-25-11-9-17-13-18(29-2)7-8-21(17)25/h3-9,11,13-14H,10,12,15H2,1-2H3,(H,24,28)
• InChIKey: LBGZLDNQCNZLAM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281366
• PubChem CID: 56763655

CALCULATED PROPERTIES

• Acid pKa: 15.219237
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7145357
• LogD (pH = 7.4): 2.7145357
• Log P: 2.7145357
• Molar Refractivity: 111.7829 cm^3
• Polarizability: 45.19414 Å^3
• Polar Surface Area: 65.26 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds