6-[(2-methoxyphenyl)methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide

• ChemBase ID: 324241
• Molecular Formular: C25H32N2O2
• Molecular Mass: 392.53378
• Monoisotopic Mass: 392.24637827
• SMILES: C12(C(C1)C(=O)NCCCc1ccccc1)CCN(Cc1c(OC)cccc1)CC2
• Canonical SMILES: COc1ccccc1CN1CCC2(CC1)CC2C(=O)NCCCc1ccccc1
• InChI: InChI=1S/C25H32N2O2/c1-29-23-12-6-5-11-21(23)19-27-16-13-25(14-17-27)18-22(25)24(28)26-15-7-10-20-8-3-2-4-9-20/h2-6,8-9,11-12,22H,7,10,13-19H2,1H3,(H,26,28)
• InChIKey: IITMOADGMJQHQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[(2-methoxyphenyl)methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide
• IUPAC Traditional name: 6-[(2-methoxyphenyl)methyl]-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide
• Synonyms: 6-(2-methoxybenzyl)-N-(3-phenylpropyl)-6-azaspiro[2.5]octane-1-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.697665
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0448321
• LogD (pH = 7.4): 2.8108711
• Log P: 3.8278587
• Molar Refractivity: 117.3548 cm^3
• Polarizability: 45.835117 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.47
• LOG S: -4.46
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 7