9-(3-ethoxypropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 500061
• Molecular Formular: C22H32N2O3
• Molecular Mass: 372.50108
• Monoisotopic Mass: 372.24129289
• SMILES: N1(C(=O)CCC2(C1)CCN(C(=O)CCOCC)CC2)CCc1ccccc1
• Canonical SMILES: CCOCCC(=O)N1CCC2(CC1)CCC(=O)N(C2)CCc1ccccc1
• InChI: InChI=1S/C22H32N2O3/c1-2-27-17-10-21(26)23-15-12-22(13-16-23)11-8-20(25)24(18-22)14-9-19-6-4-3-5-7-19/h3-7H,2,8-18H2,1H3
• InChIKey: QEJLCTQBXOIMJH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(3-ethoxypropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(3-ethoxypropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(3-ethoxypropanoyl)-2-(2-phenylethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.7344403
• LogD (pH = 7.4): 1.7344406
• Log P: 1.7344406
• Molar Refractivity: 106.6904 cm^3
• Polarizability: 41.443863 Å^3
• Polar Surface Area: 49.85 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: 2.66
• LOG S: -4.19
• Polar Surface Area: 49.85 Å^2
• Rotatable Bonds: 7