N-cyclooctyl-3-[4-(2-ethoxyethyl)piperazin-1-yl]propanamide

• ChemBase ID: 859723
• Molecular Formular: C19H37N3O2
• Molecular Mass: 339.51598
• Monoisotopic Mass: 339.28857744
• SMILES: C(=O)(CCN1CCN(CC1)CCOCC)NC1CCCCCCC1
• Canonical SMILES: CCOCCN1CCN(CC1)CCC(=O)NC1CCCCCCC1
• InChI: InChI=1S/C19H37N3O2/c1-2-24-17-16-22-14-12-21(13-15-22)11-10-19(23)20-18-8-6-4-3-5-7-9-18/h18H,2-17H2,1H3,(H,20,23)
• InChIKey: FOIXSXKSEUBBKN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclooctyl-3-[4-(2-ethoxyethyl)piperazin-1-yl]propanamide
• IUPAC Traditional name: N-cyclooctyl-3-[4-(2-ethoxyethyl)piperazin-1-yl]propanamide
• Synonyms: N-cyclooctyl-3-[4-(2-ethoxyethyl)piperazin-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 16.041101
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.62993354
• LogD (pH = 7.4): 1.1355128
• Log P: 2.1672587
• Molar Refractivity: 99.5494 cm^3
• Polarizability: 39.219753 Å^3
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.35
• LOG S: -3.69
• Polar Surface Area: 44.81 Å^2
• Rotatable Bonds: 8