N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide

• ChemBase ID: 420135
• Molecular Formular: C17H23N3O2
• Molecular Mass: 301.38342
• Monoisotopic Mass: 301.17902699
• SMILES: c1(c[nH]c2c1cccc2)C(=O)NCCC1OCCN(C1)CC
• Canonical SMILES: CCN1CCOC(C1)CCNC(=O)c1c[nH]c2c1cccc2
• InChI: InChI=1S/C17H23N3O2/c1-2-20-9-10-22-13(12-20)7-8-18-17(21)15-11-19-16-6-4-3-5-14(15)16/h3-6,11,13,19H,2,7-10,12H2,1H3,(H,18,21)
• InChIKey: VNJJUVCJWVZVAF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide
• IUPAC Traditional name: N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide
• Synonyms: N-[2-(4-ethylmorpholin-2-yl)ethyl]-1H-indole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.419027
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.5353545
• LogD (pH = 7.4): 1.0877862
• Log P: 1.423003
• Molar Refractivity: 87.4974 cm^3
• Polarizability: 34.599247 Å^3
• Polar Surface Area: 57.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.57
• LOG S: -2.74
• Polar Surface Area: 57.36 Å^2
• Rotatable Bonds: 5