N-[1-(2-methoxyethyl)-1H-indol-4-yl]-3-(5-methyl-1H-indol-1-yl)propanamide

• ChemBase ID: 225609
• Molecular Formular: C23H25N3O2
• Molecular Mass: 375.4635
• Monoisotopic Mass: 375.19467706
• SMILES: c12ccn(c1cccc2NC(=O)CCn1c2c(cc1)cc(cc2)C)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)CCn1ccc2c1ccc(c2)C
• InChI: InChI=1S/C23H25N3O2/c1-17-6-7-21-18(16-17)8-11-25(21)13-10-23(27)24-20-4-3-5-22-19(20)9-12-26(22)14-15-28-2/h3-9,11-12,16H,10,13-15H2,1-2H3,(H,24,27)
• InChIKey: DHJNRCFEWLOFKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2-methoxyethyl)-1H-indol-4-yl]-3-(5-methyl-1H-indol-1-yl)propanamide
• IUPAC Traditional name: N-[1-(2-methoxyethyl)indol-4-yl]-3-(5-methylindol-1-yl)propanamide

Database IDs

• PubChem SID: 164281519
• PubChem CID: 71753393

CALCULATED PROPERTIES

• Acid pKa: 13.198915
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.2338657
• LogD (pH = 7.4): 4.2338653
• Log P: 4.2338657
• Molar Refractivity: 113.1704 cm^3
• Polarizability: 45.02187 Å^3
• Polar Surface Area: 48.19 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds