1-cyclopropanecarbonyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide

• ChemBase ID: 585748
• Molecular Formular: C20H25N3O2
• Molecular Mass: 339.4314
• Monoisotopic Mass: 339.19467706
• SMILES: N1(C(=O)C2CC2)C(C(=O)NCCc2c3c([nH]c2)c(ccc3)C)CCC1
• Canonical SMILES: O=C(C1CCCN1C(=O)C1CC1)NCCc1c[nH]c2c1cccc2C
• InChI: InChI=1S/C20H25N3O2/c1-13-4-2-5-16-15(12-22-18(13)16)9-10-21-19(24)17-6-3-11-23(17)20(25)14-7-8-14/h2,4-5,12,14,17,22H,3,6-11H2,1H3,(H,21,24)
• InChIKey: GJSRTGNQFWCCEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopropanecarbonyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
• IUPAC Traditional name: 1-cyclopropanecarbonyl-N-[2-(7-methyl-1H-indol-3-yl)ethyl]pyrrolidine-2-carboxamide
• Synonyms: 1-(cyclopropylcarbonyl)-N-[2-(7-methyl-1H-indol-3-yl)ethyl]prolinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.628639
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 2.3346481
• LogD (pH = 7.4): 2.3346481
• Log P: 2.3346481
• Molar Refractivity: 97.2436 cm^3
• Polarizability: 38.511593 Å^3
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.75
• LOG S: -3.17
• Polar Surface Area: 65.2 Å^2
• Rotatable Bonds: 5