8-(naphthalen-1-ylmethyl)-1-oxa-8-azaspiro[4.6]undecan-9-one

• ChemBase ID: 407809
• Molecular Formular: C20H23NO2
• Molecular Mass: 309.40212
• Monoisotopic Mass: 309.17287898
• SMILES: N1(C(=O)CCC2(OCCC2)CC1)Cc1c2c(ccc1)cccc2
• Canonical SMILES: O=C1CCC2(CCN1Cc1cccc3c1cccc3)CCCO2
• InChI: InChI=1S/C20H23NO2/c22-19-9-11-20(10-4-14-23-20)12-13-21(19)15-17-7-3-6-16-5-1-2-8-18(16)17/h1-3,5-8H,4,9-15H2
• InChIKey: QBCDZFJUYBYGAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(naphthalen-1-ylmethyl)-1-oxa-8-azaspiro[4.6]undecan-9-one
• IUPAC Traditional name: 8-(naphthalen-1-ylmethyl)-1-oxa-8-azaspiro[4.6]undecan-9-one
• Synonyms: 8-(1-naphthylmethyl)-1-oxa-8-azaspiro[4.6]undecan-9-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.760334
• LogD (pH = 7.4): 2.760334
• Log P: 2.760334
• Molar Refractivity: 91.2271 cm^3
• Polarizability: 36.72252 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.22
• LOG S: -4.21
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 2