2-[8-(cyclopropylmethyl)-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl]-N-(2-phenylethyl)acetamide

• ChemBase ID: 486537
• Molecular Formular: C23H33N3O2
• Molecular Mass: 383.52702
• Monoisotopic Mass: 383.25727731
• SMILES: N1(C(=O)CCC2(C1)CN(CC(=O)NCCc1ccccc1)CCC2)CC1CC1
• Canonical SMILES: O=C(CN1CCCC2(C1)CCC(=O)N(C2)CC1CC1)NCCc1ccccc1
• InChI: InChI=1S/C23H33N3O2/c27-21(24-13-10-19-5-2-1-3-6-19)16-25-14-4-11-23(17-25)12-9-22(28)26(18-23)15-20-7-8-20/h1-3,5-6,20H,4,7-18H2,(H,24,27)
• InChIKey: ZDKVDKJFDGJZRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[8-(cyclopropylmethyl)-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl]-N-(2-phenylethyl)acetamide
• IUPAC Traditional name: 2-[8-(cyclopropylmethyl)-9-oxo-2,8-diazaspiro[5.5]undecan-2-yl]-N-(2-phenylethyl)acetamide
• Synonyms: 2-[8-(cyclopropylmethyl)-9-oxo-2,8-diazaspiro[5.5]undec-2-yl]-N-(2-phenylethyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.594084
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.1243397
• LogD (pH = 7.4): 1.533931
• Log P: 1.9190487
• Molar Refractivity: 111.1093 cm^3
• Polarizability: 43.39196 Å^3
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.1
• LOG S: -4.64
• Polar Surface Area: 52.65 Å^2
• Rotatable Bonds: 7