butyl 9-(2-methoxyethyl)-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxylate

• ChemBase ID: 636501
• Molecular Formular: C18H33N3O4
• Molecular Mass: 355.47232
• Monoisotopic Mass: 355.24710655
• SMILES: N1(C(=O)OCCCC)CC2(N(CC1)C)CCN(C(=O)CC2)CCOC
• Canonical SMILES: CCCCOC(=O)N1CCN(C2(C1)CCC(=O)N(CC2)CCOC)C
• InChI: InChI=1S/C18H33N3O4/c1-4-5-13-25-17(23)21-11-10-19(2)18(15-21)7-6-16(22)20(9-8-18)12-14-24-3/h4-15H2,1-3H3
• InChIKey: ARWWZTKNDOHNGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl 9-(2-methoxyethyl)-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxylate
• IUPAC Traditional name: butyl 9-(2-methoxyethyl)-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxylate
• Synonyms: butyl 9-(2-methoxyethyl)-1-methyl-10-oxo-1,4,9-triazaspiro[5.6]dodecane-4-carboxylate

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.4139398
• LogD (pH = 7.4): 0.26173884
• Log P: 0.67643535
• Molar Refractivity: 96.4609 cm^3
• Polarizability: 37.78578 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.68
• LOG S: -3.23
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 7