N-benzyl-N-methyl-2-(1,2-oxazolidine-2-carbonyl)-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 349792
• Molecular Formular: C21H24N2O2
• Molecular Mass: 336.42746
• Monoisotopic Mass: 336.18377802
• SMILES: C1(C(=O)N2OCCC2)(N(Cc2ccccc2)C)Cc2c(C1)cccc2
• Canonical SMILES: CN(C1(Cc2c(C1)cccc2)C(=O)N1CCCO1)Cc1ccccc1
• InChI: InChI=1S/C21H24N2O2/c1-22(16-17-8-3-2-4-9-17)21(20(24)23-12-7-13-25-23)14-18-10-5-6-11-19(18)15-21/h2-6,8-11H,7,12-16H2,1H3
• InChIKey: NAECOSOFJWQGBN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-N-methyl-2-(1,2-oxazolidine-2-carbonyl)-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-benzyl-N-methyl-2-(1,2-oxazolidine-2-carbonyl)-1,3-dihydroinden-2-amine
• Synonyms: N-benzyl-2-(2-isoxazolidinylcarbonyl)-N-methyl-2-indanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.974479
• LogD (pH = 7.4): 2.735147
• Log P: 3.41351
• Molar Refractivity: 98.9347 cm^3
• Polarizability: 38.469643 Å^3
• Polar Surface Area: 32.78 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: 3.86
• LOG S: -3.03
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4