N-(4-{[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl}phenyl)acetamide

• ChemBase ID: 606679
• Molecular Formular: C26H35N3O
• Molecular Mass: 405.5756
• Monoisotopic Mass: 405.27801276
• SMILES: N1(CC2(CN(CCCc3ccccc3)CCC2)CC1)Cc1ccc(NC(=O)C)cc1
• Canonical SMILES: CC(=O)Nc1ccc(cc1)CN1CCC2(C1)CCCN(C2)CCCc1ccccc1
• InChI: InChI=1S/C26H35N3O/c1-22(30)27-25-12-10-24(11-13-25)19-29-18-15-26(21-29)14-6-17-28(20-26)16-5-9-23-7-3-2-4-8-23/h2-4,7-8,10-13H,5-6,9,14-21H2,1H3,(H,27,30)
• InChIKey: IKYPYGRYUBGLRO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(4-{[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl}phenyl)acetamide
• IUPAC Traditional name: N-(4-{[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]methyl}phenyl)acetamide
• Synonyms: N-(4-{[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]dec-2-yl]methyl}phenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.355104
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.4408388
• LogD (pH = 7.4): 1.0494746
• Log P: 4.1578383
• Molar Refractivity: 126.2139 cm^3
• Polarizability: 48.463833 Å^3
• Polar Surface Area: 35.58 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: 4.39
• LOG S: -4.38
• Polar Surface Area: 35.58 Å^2
• Rotatable Bonds: 7