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

• ChemBase ID: 225698
• Molecular Formular: C23H25N3O3
• Molecular Mass: 391.4629
• Monoisotopic Mass: 391.18959168
• SMILES: c12ccn(c1cccc2NC(=O)CCn1c2c(cc1)c(OC)ccc2)CCOC
• Canonical SMILES: COCCn1ccc2c1cccc2NC(=O)CCn1ccc2c1cccc2OC
• InChI: InChI=1S/C23H25N3O3/c1-28-16-15-26-12-9-17-19(5-3-6-20(17)26)24-23(27)11-14-25-13-10-18-21(25)7-4-8-22(18)29-2/h3-10,12-13H,11,14-16H2,1-2H3,(H,24,27)
• InChIKey: QIWFTPHDEZAFIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281608
• PubChem CID: 71753476

CALCULATED PROPERTIES

• Acid pKa: 13.198915
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.562773
• LogD (pH = 7.4): 3.5627725
• Log P: 3.562773
• Molar Refractivity: 114.5924 cm^3
• Polarizability: 45.743645 Å^3
• Polar Surface Area: 57.42 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds