N-methyl-2-(morpholine-4-carbonyl)-N-(2-phenylethyl)-2,3-dihydro-1H-inden-2-amine

• ChemBase ID: 514225
• Molecular Formular: C23H28N2O2
• Molecular Mass: 364.48062
• Monoisotopic Mass: 364.21507815
• SMILES: C1(C(=O)N2CCOCC2)(Cc2c(C1)cccc2)N(CCc1ccccc1)C
• Canonical SMILES: CN(C1(Cc2c(C1)cccc2)C(=O)N1CCOCC1)CCc1ccccc1
• InChI: InChI=1S/C23H28N2O2/c1-24(12-11-19-7-3-2-4-8-19)23(22(26)25-13-15-27-16-14-25)17-20-9-5-6-10-21(20)18-23/h2-10H,11-18H2,1H3
• InChIKey: HATWPPBBAMSCSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(morpholine-4-carbonyl)-N-(2-phenylethyl)-2,3-dihydro-1H-inden-2-amine
• IUPAC Traditional name: N-methyl-2-(morpholine-4-carbonyl)-N-(2-phenylethyl)-1,3-dihydroinden-2-amine
• Synonyms: N-methyl-2-(4-morpholinylcarbonyl)-N-(2-phenylethyl)-2-indanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6092847
• LogD (pH = 7.4): 2.368072
• Log P: 3.4441333
• Molar Refractivity: 108.5176 cm^3
• Polarizability: 42.083035 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.72
• LOG S: -2.05
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 5