3-(3-{[2-(2-methoxyethyl)morpholin-4-yl]methyl}-1H-indol-1-yl)propanamide

• ChemBase ID: 701077
• Molecular Formular: C19H27N3O3
• Molecular Mass: 345.43598
• Monoisotopic Mass: 345.20524174
• SMILES: c1(cn(c2c1cccc2)CCC(=O)N)CN1CC(OCC1)CCOC
• Canonical SMILES: COCCC1OCCN(C1)Cc1cn(c2c1cccc2)CCC(=O)N
• InChI: InChI=1S/C19H27N3O3/c1-24-10-7-16-14-21(9-11-25-16)12-15-13-22(8-6-19(20)23)18-5-3-2-4-17(15)18/h2-5,13,16H,6-12,14H2,1H3,(H2,20,23)
• InChIKey: AXCTYXRIJPZEFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-{[2-(2-methoxyethyl)morpholin-4-yl]methyl}-1H-indol-1-yl)propanamide
• IUPAC Traditional name: 3-(3-{[2-(2-methoxyethyl)morpholin-4-yl]methyl}indol-1-yl)propanamide
• Synonyms: 3-(3-{[2-(2-methoxyethyl)morpholin-4-yl]methyl}-1H-indol-1-yl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.473879
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.090732
• LogD (pH = 7.4): 0.5848548
• Log P: 0.99938494
• Molar Refractivity: 97.8437 cm^3
• Polarizability: 39.174507 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.42
• LOG S: -2.93
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 8