N,N-dimethyl-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide

• ChemBase ID: 586072
• Molecular Formular: C19H27N3O4
• Molecular Mass: 361.43538
• Monoisotopic Mass: 361.20015636
• SMILES: C1(=O)N(CC2(O1)CCN(CC(=O)N(C)C)CC2)CCOc1ccccc1
• Canonical SMILES: CN(C(=O)CN1CCC2(CC1)CN(C(=O)O2)CCOc1ccccc1)C
• InChI: InChI=1S/C19H27N3O4/c1-20(2)17(23)14-21-10-8-19(9-11-21)15-22(18(24)26-19)12-13-25-16-6-4-3-5-7-16/h3-7H,8-15H2,1-2H3
• InChIKey: ZRBAURJRGZWSQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
• IUPAC Traditional name: N,N-dimethyl-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-8-yl]acetamide
• Synonyms: N,N-dimethyl-2-[2-oxo-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]dec-8-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.2768188
• LogD (pH = 7.4): 0.29721397
• Log P: 0.57784724
• Molar Refractivity: 97.507 cm^3
• Polarizability: 38.147655 Å^3
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.66
• LOG S: -3.25
• Polar Surface Area: 62.32 Å^2
• Rotatable Bonds: 6