N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-1H-indole-2-carboxamide

• ChemBase ID: 227836
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: c1(n(c2c(c1)cccc2)CCOC)C(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COCCn1c(cc2c1cccc2)C(=O)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C22H23N3O2/c1-27-13-12-25-20-9-5-2-6-16(20)14-21(25)22(26)23-11-10-17-15-24-19-8-4-3-7-18(17)19/h2-9,14-15,24H,10-13H2,1H3,(H,23,26)
• InChIKey: LFOWBFBGLMRIJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)-1H-indole-2-carboxamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-1-(2-methoxyethyl)indole-2-carboxamide

Database IDs

• PubChem SID: 164283746
• PubChem CID: 71754954

CALCULATED PROPERTIES

• Acid pKa: 15.696469
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.354922
• LogD (pH = 7.4): 3.354922
• Log P: 3.354922
• Molar Refractivity: 107.3914 cm^3
• Polarizability: 43.04801 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