9-[2-(2-methoxyethoxy)acetyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

• ChemBase ID: 493411
• Molecular Formular: C14H25N3O4
• Molecular Mass: 299.366
• Monoisotopic Mass: 299.1845063
• SMILES: C12(C(=O)NCCN1C)CCN(C(=O)COCCOC)CC2
• Canonical SMILES: COCCOCC(=O)N1CCC2(CC1)N(C)CCNC2=O
• InChI: InChI=1S/C14H25N3O4/c1-16-8-5-15-13(19)14(16)3-6-17(7-4-14)12(18)11-21-10-9-20-2/h3-11H2,1-2H3,(H,15,19)
• InChIKey: YUCCDUKKADHCOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[2-(2-methoxyethoxy)acetyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
• IUPAC Traditional name: 9-[2-(2-methoxyethoxy)acetyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
• Synonyms: 9-[(2-methoxyethoxy)acetyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.041226
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -3.1000621
• LogD (pH = 7.4): -1.9141655
• Log P: -1.8258882
• Molar Refractivity: 78.0816 cm^3
• Polarizability: 30.456411 Å^3
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: -1.4
• LOG S: -1.5
• Polar Surface Area: 71.11 Å^2
• Rotatable Bonds: 5