N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

• ChemBase ID: 221222
• Molecular Formular: C22H23N3O2
• Molecular Mass: 361.43692
• Monoisotopic Mass: 361.17902699
• SMILES: C1(C(N(C(=O)C1)C)c1ccccc1)C(=O)NCCc1c[nH]c2c1cccc2
• Canonical SMILES: O=C(C1CC(=O)N(C1c1ccccc1)C)NCCc1c[nH]c2c1cccc2
• InChI: InChI=1S/C22H23N3O2/c1-25-20(26)13-18(21(25)15-7-3-2-4-8-15)22(27)23-12-11-16-14-24-19-10-6-5-9-17(16)19/h2-10,14,18,21,24H,11-13H2,1H3,(H,23,27)
• InChIKey: YKPZPWMNUHIPLL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
• IUPAC Traditional name: N-[2-(1H-indol-3-yl)ethyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide

Database IDs

• PubChem SID: 164277132
• PubChem CID: 42648752

CALCULATED PROPERTIES

• Acid pKa: 15.662323
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3355887
• LogD (pH = 7.4): 2.3355887
• Log P: 2.3355887
• Molar Refractivity: 104.6963 cm^3
• Polarizability: 41.559177 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds