N-(2-{4-[(1-ethyl-1H-indol-5-yl)methyl]morpholin-2-yl}ethyl)acetamide

• ChemBase ID: 387685
• Molecular Formular: C19H27N3O2
• Molecular Mass: 329.43658
• Monoisotopic Mass: 329.21032712
• SMILES: n1(c2c(cc1)cc(CN1CC(OCC1)CCNC(=O)C)cc2)CC
• Canonical SMILES: CCn1ccc2c1ccc(c2)CN1CCOC(C1)CCNC(=O)C
• InChI: InChI=1S/C19H27N3O2/c1-3-22-9-7-17-12-16(4-5-19(17)22)13-21-10-11-24-18(14-21)6-8-20-15(2)23/h4-5,7,9,12,18H,3,6,8,10-11,13-14H2,1-2H3,(H,20,23)
• InChIKey: FRCFMRVMPKGACT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-{4-[(1-ethyl-1H-indol-5-yl)methyl]morpholin-2-yl}ethyl)acetamide
• IUPAC Traditional name: N-(2-{4-[(1-ethylindol-5-yl)methyl]morpholin-2-yl}ethyl)acetamide
• Synonyms: N-(2-{4-[(1-ethyl-1H-indol-5-yl)methyl]morpholin-2-yl}ethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.037413
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.17880894
• LogD (pH = 7.4): 1.3070098
• Log P: 1.5169778
• Molar Refractivity: 96.3362 cm^3
• Polarizability: 38.415142 Å^3
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.18
• LOG S: -2.61
• Polar Surface Area: 46.5 Å^2
• Rotatable Bonds: 6