2-methoxy-N-{3-[4-(morpholin-4-ylmethyl)phenoxy]propyl}acetamide

• ChemBase ID: 684901
• Molecular Formular: C17H26N2O4
• Molecular Mass: 322.39934
• Monoisotopic Mass: 322.18925732
• SMILES: N1(Cc2ccc(cc2)OCCCNC(=O)COC)CCOCC1
• Canonical SMILES: COCC(=O)NCCCOc1ccc(cc1)CN1CCOCC1
• InChI: InChI=1S/C17H26N2O4/c1-21-14-17(20)18-7-2-10-23-16-5-3-15(4-6-16)13-19-8-11-22-12-9-19/h3-6H,2,7-14H2,1H3,(H,18,20)
• InChIKey: OTNMXIQSSVZWKS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-{3-[4-(morpholin-4-ylmethyl)phenoxy]propyl}acetamide
• IUPAC Traditional name: 2-methoxy-N-{3-[4-(morpholin-4-ylmethyl)phenoxy]propyl}acetamide
• Synonyms: 2-methoxy-N-{3-[4-(4-morpholinylmethyl)phenoxy]propyl}acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.120849
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -0.7893494
• LogD (pH = 7.4): 0.3651934
• Log P: 0.44617185
• Molar Refractivity: 88.8508 cm^3
• Polarizability: 34.659252 Å^3
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 1.26
• LOG S: -0.73
• Polar Surface Area: 60.03 Å^2
• Rotatable Bonds: 8