2-[({3-methoxy-2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amino]acetamide

• ChemBase ID: 821295
• Molecular Formular: C16H25N3O4
• Molecular Mass: 323.3874
• Monoisotopic Mass: 323.1845063
• SMILES: c1(c(CNCC(=O)N)cccc1OC)OCCN1CCOCC1
• Canonical SMILES: COc1cccc(c1OCCN1CCOCC1)CNCC(=O)N
• InChI: InChI=1S/C16H25N3O4/c1-21-14-4-2-3-13(11-18-12-15(17)20)16(14)23-10-7-19-5-8-22-9-6-19/h2-4,18H,5-12H2,1H3,(H2,17,20)
• InChIKey: OEHXHQBGDNZOCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[({3-methoxy-2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amino]acetamide
• IUPAC Traditional name: 2-[({3-methoxy-2-[2-(morpholin-4-yl)ethoxy]phenyl}methyl)amino]acetamide
• Synonyms: 2-{[3-methoxy-2-(2-morpholin-4-ylethoxy)benzyl]amino}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.69757
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -3.0731118
• LogD (pH = 7.4): -0.6917184
• Log P: -0.31256312
• Molar Refractivity: 87.2328 cm^3
• Polarizability: 34.336586 Å^3
• Polar Surface Area: 86.05 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.13
• LOG S: -2.98
• Polar Surface Area: 86.05 Å^2
• Rotatable Bonds: 9