N-(1-benzylcyclopropyl)-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 587478
• Molecular Formular: C23H35N3O
• Molecular Mass: 369.5435
• Monoisotopic Mass: 369.27801276
• SMILES: N1(C(C(=O)NC2(CC2)Cc2ccccc2)CC2(C1)CCN(CC2)C)CCC
• Canonical SMILES: CCCN1CC2(CC1C(=O)NC1(CC1)Cc1ccccc1)CCN(CC2)C
• InChI: InChI=1S/C23H35N3O/c1-3-13-26-18-22(11-14-25(2)15-12-22)17-20(26)21(27)24-23(9-10-23)16-19-7-5-4-6-8-19/h4-8,20H,3,9-18H2,1-2H3,(H,24,27)
• InChIKey: ZIKSFAPYAOLCFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1-benzylcyclopropyl)-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-(1-benzylcyclopropyl)-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-(1-benzylcyclopropyl)-8-methyl-2-propyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): -0.991388
• Log P: 2.9705153
• Molar Refractivity: 111.2135 cm^3
• Polarizability: 43.732048 Å^3
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• Acid pKa: 15.652191
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.5703564

供应商提供(Chembridge)

• Log P: 2.93
• LOG S: -4.4
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 6
• H Acceptors: 3
• H Donor: 1