8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 713460
• Molecular Formular: C20H26N2O4
• Molecular Mass: 358.43144
• Monoisotopic Mass: 358.18925732
• SMILES: C1(=O)N(CC2(O1)CCN(C(=O)CC1CC1)CC2)CCOc1ccccc1
• Canonical SMILES: O=C(N1CCC2(CC1)CN(C(=O)O2)CCOc1ccccc1)CC1CC1
• InChI: InChI=1S/C20H26N2O4/c23-18(14-16-6-7-16)21-10-8-20(9-11-21)15-22(19(24)26-20)12-13-25-17-4-2-1-3-5-17/h1-5,16H,6-15H2
• InChIKey: CEIIZRNWDXMOPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(2-cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(cyclopropylacetyl)-3-(2-phenoxyethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6547462
• LogD (pH = 7.4): 1.6547465
• Log P: 1.6547465
• Molar Refractivity: 96.0523 cm^3
• Polarizability: 37.733875 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.78
• LOG S: -4.19
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 6