N-methyl-N-(2-methylprop-2-en-1-yl)-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 830457
• Molecular Formular: C20H28N2O
• Molecular Mass: 312.44912
• Monoisotopic Mass: 312.22016353
• SMILES: C1(C(=O)N(CC(=C)C)C)(N2CCCCC2)Cc2c(C1)cccc2
• Canonical SMILES: CN(C(=O)C1(Cc2c(C1)cccc2)N1CCCCC1)CC(=C)C
• InChI: InChI=1S/C20H28N2O/c1-16(2)15-21(3)19(23)20(22-11-7-4-8-12-22)13-17-9-5-6-10-18(17)14-20/h5-6,9-10H,1,4,7-8,11-15H2,2-3H3
• InChIKey: USUVMIQMYUUAHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(2-methylprop-2-en-1-yl)-2-(piperidin-1-yl)-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-methyl-N-(2-methylprop-2-en-1-yl)-2-(piperidin-1-yl)-1,3-dihydroindene-2-carboxamide
• Synonyms: N-methyl-N-(2-methyl-2-propen-1-yl)-2-(1-piperidinyl)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.58817
• LogD (pH = 7.4): 2.3370721
• Log P: 3.4744766
• Molar Refractivity: 95.6622 cm^3
• Polarizability: 37.169727 Å^3
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.9
• LOG S: -3.09
• Polar Surface Area: 23.55 Å^2
• Rotatable Bonds: 4