methyl 4-({1-methoxy-2-oxo-1,8-diazaspiro[4.5]decan-8-yl}methyl)benzoate

• ChemBase ID: 521359
• Molecular Formular: C18H24N2O4
• Molecular Mass: 332.39416
• Monoisotopic Mass: 332.17360726
• SMILES: N1(C2(CCN(CC2)Cc2ccc(C(=O)OC)cc2)CCC1=O)OC
• Canonical SMILES: CON1C(=O)CCC21CCN(CC2)Cc1ccc(cc1)C(=O)OC
• InChI: InChI=1S/C18H24N2O4/c1-23-17(22)15-5-3-14(4-6-15)13-19-11-9-18(10-12-19)8-7-16(21)20(18)24-2/h3-6H,7-13H2,1-2H3
• InChIKey: URXZHOXQYWRUDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-({1-methoxy-2-oxo-1,8-diazaspiro[4.5]decan-8-yl}methyl)benzoate
• IUPAC Traditional name: methyl 4-({1-methoxy-2-oxo-1,8-diazaspiro[4.5]decan-8-yl}methyl)benzoate
• Synonyms: methyl 4-[(1-methoxy-2-oxo-1,8-diazaspiro[4.5]dec-8-yl)methyl]benzoate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.1882529
• LogD (pH = 7.4): 0.5856697
• Log P: 1.4736946
• Molar Refractivity: 90.4834 cm^3
• Polarizability: 35.146038 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.21
• LOG S: -2.66
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 5