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

• ChemBase ID: 226632
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: n1(cc(c2c1cccc2)CCC(=O)Nc1cc2c([nH]cc2)cc1)CCOC
• Canonical SMILES: COCCn1cc(c2c1cccc2)CCC(=O)Nc1ccc2c(c1)cc[nH]2
• InChI: InChI=1S/C22H23N3O2/c1-27-13-12-25-15-17(19-4-2-3-5-21(19)25)6-9-22(26)24-18-7-8-20-16(14-18)10-11-23-20/h2-5,7-8,10-11,14-15,23H,6,9,12-13H2,1H3,(H,24,26)
• InChIKey: SUPXVBPEEIKYIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164282542
• PubChem CID: 71753790

CALCULATED PROPERTIES

• Acid pKa: 13.939825
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.8640893
• LogD (pH = 7.4): 3.864089
• Log P: 3.8640893
• Molar Refractivity: 108.3571 cm^3
• Polarizability: 43.253357 Å^3
• Polar Surface Area: 59.05 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds