7-[2-(benzyloxy)ethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

• ChemBase ID: 354038
• Molecular Formular: C17H24N2O3
• Molecular Mass: 304.38406
• Monoisotopic Mass: 304.17869264
• SMILES: C1(=O)N(CC2(O1)CN(CCC2)CCOCc1ccccc1)C
• Canonical SMILES: O=C1OC2(CN1C)CCCN(C2)CCOCc1ccccc1
• InChI: InChI=1S/C17H24N2O3/c1-18-13-17(22-16(18)20)8-5-9-19(14-17)10-11-21-12-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3
• InChIKey: SAWQFKIGPCXSEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[2-(benzyloxy)ethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 7-[2-(benzyloxy)ethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one
• Synonyms: 7-[2-(benzyloxy)ethyl]-3-methyl-1-oxa-3,7-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.80956537
• LogD (pH = 7.4): 0.95891666
• Log P: 1.9503053
• Molar Refractivity: 84.6899 cm^3
• Polarizability: 33.244778 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.91
• LOG S: -2.04
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5