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

• ChemBase ID: 865668
• Molecular Formular: C15H22N2O2
• Molecular Mass: 262.34738
• Monoisotopic Mass: 262.16812795
• SMILES: C1(Cc2c(C1)cccc2)(C(=O)NCCCO)N(C)C
• Canonical SMILES: OCCCNC(=O)C1(Cc2c(C1)cccc2)N(C)C
• InChI: InChI=1S/C15H22N2O2/c1-17(2)15(14(19)16-8-5-9-18)10-12-6-3-4-7-13(12)11-15/h3-4,6-7,18H,5,8-11H2,1-2H3,(H,16,19)
• InChIKey: DEISGAMYAATOTI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.453149
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.4589894
• LogD (pH = 7.4): 0.26638463
• Log P: 0.795681
• Molar Refractivity: 76.3365 cm^3
• Polarizability: 29.522552 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 1.02
• LOG S: -1.16
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 4