4-({2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}methyl)benzamide

• ChemBase ID: 760025
• Molecular Formular: C24H31N3O
• Molecular Mass: 377.52244
• Monoisotopic Mass: 377.24671263
• SMILES: N1(CC(CC2(C1)CCN(Cc1ccc(C(=O)N)cc1)CC2)c1ccccc1)C
• Canonical SMILES: CN1CC(CC2(C1)CCN(CC2)Cc1ccc(cc1)C(=O)N)c1ccccc1
• InChI: InChI=1S/C24H31N3O/c1-26-17-22(20-5-3-2-4-6-20)15-24(18-26)11-13-27(14-12-24)16-19-7-9-21(10-8-19)23(25)28/h2-10,22H,11-18H2,1H3,(H2,25,28)
• InChIKey: PCHDNJIYHJBNKZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-({2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}methyl)benzamide
• IUPAC Traditional name: 4-({2-methyl-4-phenyl-2,9-diazaspiro[5.5]undecan-9-yl}methyl)benzamide
• Synonyms: 4-[(2-methyl-4-phenyl-2,9-diazaspiro[5.5]undec-9-yl)methyl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.487344
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.9324346
• LogD (pH = 7.4): 0.014082349
• Log P: 3.1005032
• Molar Refractivity: 115.7823 cm^3
• Polarizability: 44.557335 Å^3
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.11
• LOG S: -4.61
• Polar Surface Area: 49.57 Å^2
• Rotatable Bonds: 4