2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 514501
• Molecular Formular: C22H32N2O4
• Molecular Mass: 388.50048
• Monoisotopic Mass: 388.23620751
• SMILES: N1(C(=O)CCC2(C1)CN(C(=O)CCc1cc(OC)ccc1)CCC2)CCOC
• Canonical SMILES: COCCN1CC2(CCCN(C2)C(=O)CCc2cccc(c2)OC)CCC1=O
• InChI: InChI=1S/C22H32N2O4/c1-27-14-13-24-17-22(11-9-21(24)26)10-4-12-23(16-22)20(25)8-7-18-5-3-6-19(15-18)28-2/h3,5-6,15H,4,7-14,16-17H2,1-2H3
• InChIKey: NJGPUKJOZHBVNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-8-[3-(3-methoxyphenyl)propanoyl]-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.5317758
• LogD (pH = 7.4): 1.5317763
• Log P: 1.5317763
• Molar Refractivity: 108.097 cm^3
• Polarizability: 42.128292 Å^3
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.2
• LOG S: -3.91
• Polar Surface Area: 59.08 Å^2
• Rotatable Bonds: 7