N-(dicyclopropylmethyl)-2-(dimethylamino)-2,3-dihydro-1H-indene-2-carboxamide

• ChemBase ID: 865700
• Molecular Formular: C19H26N2O
• Molecular Mass: 298.42254
• Monoisotopic Mass: 298.20451346
• SMILES: C1(C(=O)NC(C2CC2)C2CC2)(Cc2c(C1)cccc2)N(C)C
• Canonical SMILES: CN(C1(Cc2c(C1)cccc2)C(=O)NC(C1CC1)C1CC1)C
• InChI: InChI=1S/C19H26N2O/c1-21(2)19(11-15-5-3-4-6-16(15)12-19)18(22)20-17(13-7-8-13)14-9-10-14/h3-6,13-14,17H,7-12H2,1-2H3,(H,20,22)
• InChIKey: GSBVUGANUBPPLQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(dicyclopropylmethyl)-2-(dimethylamino)-2,3-dihydro-1H-indene-2-carboxamide
• IUPAC Traditional name: N-(dicyclopropylmethyl)-2-(dimethylamino)-1,3-dihydroindene-2-carboxamide
• Synonyms: N-(dicyclopropylmethyl)-2-(dimethylamino)-2-indanecarboxamide

CALCULATED PROPERTIES

JChem

• Polarizability: 34.82528 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.56045
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.79249674
• LogD (pH = 7.4): 2.517765
• Log P: 3.0467448
• Molar Refractivity: 88.733 cm^3

供应商提供(Chembridge)

• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• H Acceptors: 2
• H Donor: 1
• Log P: 2.8
• LOG S: -2.71