8-[3-(3-methoxyphenoxy)propyl]-1-oxa-8-azaspiro[4.6]undecan-9-one

• ChemBase ID: 562338
• Molecular Formular: C19H27NO4
• Molecular Mass: 333.42198
• Monoisotopic Mass: 333.19400835
• SMILES: N1(C(=O)CCC2(OCCC2)CC1)CCCOc1cc(OC)ccc1
• Canonical SMILES: COc1cccc(c1)OCCCN1CCC2(CCC1=O)CCCO2
• InChI: InChI=1S/C19H27NO4/c1-22-16-5-2-6-17(15-16)23-13-4-11-20-12-10-19(8-3-14-24-19)9-7-18(20)21/h2,5-6,15H,3-4,7-14H2,1H3
• InChIKey: VTGNEADKKVKABZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(3-methoxyphenoxy)propyl]-1-oxa-8-azaspiro[4.6]undecan-9-one
• IUPAC Traditional name: 8-[3-(3-methoxyphenoxy)propyl]-1-oxa-8-azaspiro[4.6]undecan-9-one
• Synonyms: 8-[3-(3-methoxyphenoxy)propyl]-1-oxa-8-azaspiro[4.6]undecan-9-one

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.39
• LOG S: -3.67
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6

JChem

• H Donor: 0
• LogD (pH = 5.5): 1.592722
• LogD (pH = 7.4): 1.5927223
• Log P: 1.5927223
• Molar Refractivity: 92.0451 cm^3
• Polarizability: 36.071896 Å^3
• Polar Surface Area: 48.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 4