N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]morpholine-2-carboxamide

• ChemBase ID: 764865
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: C(=O)(C1OCCNC1)NC(CC1Cc2c(C1)cccc2)(C)C
• Canonical SMILES: O=C(C1OCCNC1)NC(CC1Cc2c(C1)cccc2)(C)C
• InChI: InChI=1S/C18H26N2O2/c1-18(2,20-17(21)16-12-19-7-8-22-16)11-13-9-14-5-3-4-6-15(14)10-13/h3-6,13,16,19H,7-12H2,1-2H3,(H,20,21)
• InChIKey: UFTVQJJLGIVHAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]morpholine-2-carboxamide
• IUPAC Traditional name: N-[1-(2,3-dihydro-1H-inden-2-yl)-2-methylpropan-2-yl]morpholine-2-carboxamide
• Synonyms: N-[2-(2,3-dihydro-1H-inden-2-yl)-1,1-dimethylethyl]-2-morpholinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.3435335
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.006791273
• LogD (pH = 7.4): 1.6896812
• Log P: 2.1868634
• Molar Refractivity: 87.1299 cm^3
• Polarizability: 34.241154 Å^3
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.75
• LOG S: -2.9
• Polar Surface Area: 50.36 Å^2
• Rotatable Bonds: 4