N-[3-(1H-indol-1-yl)propyl]-2-(pyrrolidin-3-yl)acetamide

• ChemBase ID: 823267
• Molecular Formular: C17H23N3O
• Molecular Mass: 285.38402
• Monoisotopic Mass: 285.18411237
• SMILES: n1(ccc2c1cccc2)CCCNC(=O)CC1CNCC1
• Canonical SMILES: O=C(CC1CNCC1)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C17H23N3O/c21-17(12-14-6-9-18-13-14)19-8-3-10-20-11-7-15-4-1-2-5-16(15)20/h1-2,4-5,7,11,14,18H,3,6,8-10,12-13H2,(H,19,21)
• InChIKey: ORYOUCLNLKWXMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indol-1-yl)propyl]-2-(pyrrolidin-3-yl)acetamide
• IUPAC Traditional name: N-[3-(indol-1-yl)propyl]-2-(pyrrolidin-3-yl)acetamide
• Synonyms: N-[3-(1H-indol-1-yl)propyl]-2-pyrrolidin-3-ylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.226608
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.9376355
• LogD (pH = 7.4): -1.8452193
• Log P: 1.3030709
• Molar Refractivity: 84.6289 cm^3
• Polarizability: 34.14705 Å^3
• Polar Surface Area: 46.06 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 2
• Log P: 1.74
• LOG S: -2.77
• Polar Surface Area: 46.06 Å^2
• Rotatable Bonds: 6