N-[3-(1H-indol-1-yl)propyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

• ChemBase ID: 517694
• Molecular Formular: C20H24N2O3
• Molecular Mass: 340.41616
• Monoisotopic Mass: 340.17869264
• SMILES: C1(C2(OC(=O)C1)CCCC2)C(=O)NCCCn1ccc2c1cccc2
• Canonical SMILES: O=C1CC(C2(O1)CCCC2)C(=O)NCCCn1ccc2c1cccc2
• InChI: InChI=1S/C20H24N2O3/c23-18-14-16(20(25-18)9-3-4-10-20)19(24)21-11-5-12-22-13-8-15-6-1-2-7-17(15)22/h1-2,6-8,13,16H,3-5,9-12,14H2,(H,21,24)
• InChIKey: CLWDRRYHVFOSTO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(1H-indol-1-yl)propyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
• IUPAC Traditional name: N-[3-(indol-1-yl)propyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
• Synonyms: N-[3-(1H-indol-1-yl)propyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.784281
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.4075258
• LogD (pH = 7.4): 2.407526
• Log P: 2.407526
• Molar Refractivity: 94.3533 cm^3
• Polarizability: 38.142723 Å^3
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.07
• LOG S: -3.45
• Polar Surface Area: 60.33 Å^2
• Rotatable Bonds: 5