2-cyclopropyl-9-(3-methylbut-2-en-1-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 741054
• Molecular Formular: C23H32N2O
• Molecular Mass: 352.51298
• Monoisotopic Mass: 352.25146365
• SMILES: N1(C(=O)C(CC2(C1)CCN(CC=C(C)C)CC2)c1ccccc1)C1CC1
• Canonical SMILES: CC(=CCN1CCC2(CC1)CN(C1CC1)C(=O)C(C2)c1ccccc1)C
• InChI: InChI=1S/C23H32N2O/c1-18(2)10-13-24-14-11-23(12-15-24)16-21(19-6-4-3-5-7-19)22(26)25(17-23)20-8-9-20/h3-7,10,20-21H,8-9,11-17H2,1-2H3
• InChIKey: PEKZAMWTJYTWLA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-9-(3-methylbut-2-en-1-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-9-(3-methylbut-2-en-1-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-9-(3-methyl-2-buten-1-yl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.37552088
• LogD (pH = 7.4): 1.967183
• Log P: 3.5783136
• Molar Refractivity: 108.1491 cm^3
• Polarizability: 41.971256 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 4.3
• LOG S: -5.44
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4