N-[2-(1H-indol-3-yl)ethyl]-3-(7-methoxy-1H-indol-1-yl)propanamide

• ChemBase ID: 224313
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: n1(ccc2c1c(OC)ccc2)CCC(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: COc1cccc2c1n(CCC(=O)NCCc1c[nH]c3c1cccc3)cc2
• InChI: InChI=1S/C22H23N3O2/c1-27-20-8-4-5-16-10-13-25(22(16)20)14-11-21(26)23-12-9-17-15-24-19-7-3-2-6-18(17)19/h2-8,10,13,15,24H,9,11-12,14H2,1H3,(H,23,26)
• InChIKey: PUFJJJDOYRPJEM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-3-(7-methoxy-1H-indol-1-yl)propanamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-3-(7-methoxyindol-1-yl)propanamide

Database IDs

• PubChem SID: 164280223
• PubChem CID: 51052285

CALCULATED PROPERTIES

• Acid pKa: 15.7623625
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 3.3816383
• LogD (pH = 7.4): 3.3816385
• Log P: 3.3816385
• Molar Refractivity: 106.4614 cm^3
• Polarizability: 43.338997 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