2-methoxy-N-({8-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)acetamide

• ChemBase ID: 366884
• Molecular Formular: C23H35N3O3
• Molecular Mass: 401.5423
• Monoisotopic Mass: 401.267842
• SMILES: c12N(CCCc1cc(CN1CCC3(OC(CNC(=O)COC)CC3)CC1)cc2)C
• Canonical SMILES: COCC(=O)NCC1CCC2(O1)CCN(CC2)Cc1ccc2c(c1)CCCN2C
• InChI: InChI=1S/C23H35N3O3/c1-25-11-3-4-19-14-18(5-6-21(19)25)16-26-12-9-23(10-13-26)8-7-20(29-23)15-24-22(27)17-28-2/h5-6,14,20H,3-4,7-13,15-17H2,1-2H3,(H,24,27)
• InChIKey: KHBOHEYDVLBHGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-N-({8-[(1-methyl-1,2,3,4-tetrahydroquinolin-6-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)acetamide
• IUPAC Traditional name: 2-methoxy-N-({8-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-2-yl}methyl)acetamide
• Synonyms: 2-methoxy-N-({8-[(1-methyl-1,2,3,4-tetrahydro-6-quinolinyl)methyl]-1-oxa-8-azaspiro[4.5]dec-2-yl}methyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.2593
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.2579794
• LogD (pH = 7.4): 0.5691287
• Log P: 1.7054042
• Molar Refractivity: 116.3632 cm^3
• Polarizability: 44.62647 Å^3
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.44
• LOG S: -3.99
• Polar Surface Area: 54.04 Å^2
• Rotatable Bonds: 5