8-[3-(dimethylamino)propyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 428468
• Molecular Formular: C22H35N3O
• Molecular Mass: 357.5328
• Monoisotopic Mass: 357.27801276
• SMILES: N1(C(=O)CCC2(C1)CN(CCCN(C)C)CCC2)CCc1ccccc1
• Canonical SMILES: CN(CCCN1CCCC2(C1)CCC(=O)N(C2)CCc1ccccc1)C
• InChI: InChI=1S/C22H35N3O/c1-23(2)14-7-16-24-15-6-12-22(18-24)13-10-21(26)25(19-22)17-11-20-8-4-3-5-9-20/h3-5,8-9H,6-7,10-19H2,1-2H3
• InChIKey: CPFPWEMKOLZWKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[3-(dimethylamino)propyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-[3-(dimethylamino)propyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-[3-(dimethylamino)propyl]-2-(2-phenylethyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.1003618
• LogD (pH = 7.4): -0.54030967
• Log P: 2.3223588
• Molar Refractivity: 109.2483 cm^3
• Polarizability: 42.62297 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.21
• LOG S: -4.55
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 7