1-[6-oxo-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]cyclopropane-1-carboxamide

• ChemBase ID: 692195
• Molecular Formular: C22H29N3O3
• Molecular Mass: 383.48396
• Monoisotopic Mass: 383.2208918
• SMILES: C1(C(=O)N2CC3(C(=O)N(CCCc4ccccc4)CCC3)CC2)(CC1)C(=O)N
• Canonical SMILES: O=C1N(CCCc2ccccc2)CCCC21CCN(C2)C(=O)C1(CC1)C(=O)N
• InChI: InChI=1S/C22H29N3O3/c23-18(26)22(10-11-22)20(28)25-15-12-21(16-25)9-5-14-24(19(21)27)13-4-8-17-6-2-1-3-7-17/h1-3,6-7H,4-5,8-16H2,(H2,23,26)
• InChIKey: DNOXXUNMFQUAFT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[6-oxo-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]cyclopropane-1-carboxamide
• IUPAC Traditional name: 1-[6-oxo-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane-2-carbonyl]cyclopropane-1-carboxamide
• Synonyms: 1-{[6-oxo-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]dec-2-yl]carbonyl}cyclopropanecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.876625
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5472357
• LogD (pH = 7.4): 1.5472363
• Log P: 1.5472363
• Molar Refractivity: 106.2804 cm^3
• Polarizability: 41.24202 Å^3
• Polar Surface Area: 83.71 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 0.95
• LOG S: -2.81
• Polar Surface Area: 83.71 Å^2
• Rotatable Bonds: 6