2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(morpholin-4-yl)ethyl]acetamide

• ChemBase ID: 687873
• Molecular Formular: C17H24N2O2
• Molecular Mass: 288.38466
• Monoisotopic Mass: 288.18377802
• SMILES: C1(c2c(CC1)cccc2)CC(=O)NCCN1CCOCC1
• Canonical SMILES: O=C(CC1CCc2c1cccc2)NCCN1CCOCC1
• InChI: InChI=1S/C17H24N2O2/c20-17(18-7-8-19-9-11-21-12-10-19)13-15-6-5-14-3-1-2-4-16(14)15/h1-4,15H,5-13H2,(H,18,20)
• InChIKey: KAFBTSDBUFPCPC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(morpholin-4-yl)ethyl]acetamide
• IUPAC Traditional name: 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(morpholin-4-yl)ethyl]acetamide
• Synonyms: 2-(2,3-dihydro-1H-inden-1-yl)-N-[2-(4-morpholinyl)ethyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Log P: 1.17
• LOG S: -2.3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• H Acceptors: 3
• H Donor: 1

JChem

• Molar Refractivity: 83.5667 cm^3
• Polarizability: 32.474724 Å^3
• Polar Surface Area: 41.57 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.960236
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.8140659
• LogD (pH = 7.4): 1.5813739
• Log P: 1.6091548