2-[({2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-3-methoxyphenyl}methyl)(methyl)amino]-N-methylacetamide

• ChemBase ID: 496675
• Molecular Formular: C19H31N3O5
• Molecular Mass: 381.46654
• Monoisotopic Mass: 381.22637111
• SMILES: c1(c(OCC(CN2CCOCC2)O)c(OC)ccc1)CN(CC(=O)NC)C
• Canonical SMILES: CNC(=O)CN(Cc1cccc(c1OCC(CN1CCOCC1)O)OC)C
• InChI: InChI=1S/C19H31N3O5/c1-20-18(24)13-21(2)11-15-5-4-6-17(25-3)19(15)27-14-16(23)12-22-7-9-26-10-8-22/h4-6,16,23H,7-14H2,1-3H3,(H,20,24)
• InChIKey: TXSSSOZVFXZBNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[({2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-3-methoxyphenyl}methyl)(methyl)amino]-N-methylacetamide
• IUPAC Traditional name: 2-[({2-[2-hydroxy-3-(morpholin-4-yl)propoxy]-3-methoxyphenyl}methyl)(methyl)amino]-N-methylacetamide
• Synonyms: N~2~-[2-(2-hydroxy-3-morpholin-4-ylpropoxy)-3-methoxybenzyl]-N~1~,N~2~-dimethylglycinamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.048635
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -2.2690847
• LogD (pH = 7.4): -0.42591438
• Log P: -0.33617407
• Molar Refractivity: 103.3867 cm^3
• Polarizability: 40.48864 Å^3
• Polar Surface Area: 83.5 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 2
• Log P: 0.19
• LOG S: -3.45
• Polar Surface Area: 83.5 Å^2
• Rotatable Bonds: 10