N-methyl-2-{1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}-N-(propan-2-yl)acetamide

• ChemBase ID: 670508
• Molecular Formular: C21H33N3O
• Molecular Mass: 343.50622
• Monoisotopic Mass: 343.26236269
• SMILES: C12(N(CC(C1)c1ccccc1)C)CCN(CC(=O)N(C(C)C)C)CC2
• Canonical SMILES: CC(N(C(=O)CN1CCC2(CC1)CC(CN2C)c1ccccc1)C)C
• InChI: InChI=1S/C21H33N3O/c1-17(2)23(4)20(25)16-24-12-10-21(11-13-24)14-19(15-22(21)3)18-8-6-5-7-9-18/h5-9,17,19H,10-16H2,1-4H3
• InChIKey: VQFIQXGTPWGBNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-{1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}-N-(propan-2-yl)acetamide
• IUPAC Traditional name: N-isopropyl-N-methyl-2-{1-methyl-3-phenyl-1,8-diazaspiro[4.5]decan-8-yl}acetamide
• Synonyms: N-isopropyl-N-methyl-2-(1-methyl-3-phenyl-1,8-diazaspiro[4.5]dec-8-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.4568326
• LogD (pH = 7.4): -0.9828873
• Log P: 1.9370943
• Molar Refractivity: 104.304 cm^3
• Polarizability: 40.69826 Å^3
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.77
• LOG S: -4.07
• Polar Surface Area: 26.79 Å^2
• Rotatable Bonds: 4