N-ethyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-[(2E)-3-phenylprop-2-en-1-yl]propanamide

• ChemBase ID: 513830
• Molecular Formular: C21H23N3O
• Molecular Mass: 333.42682
• Monoisotopic Mass: 333.18411237
• SMILES: n12c(nc(c1)CCC(=O)N(C/C=C/c1ccccc1)CC)cccc2
• Canonical SMILES: CCN(C(=O)CCc1nc2n(c1)cccc2)C/C=C/c1ccccc1
• InChI: InChI=1S/C21H23N3O/c1-2-23(16-8-11-18-9-4-3-5-10-18)21(25)14-13-19-17-24-15-7-6-12-20(24)22-19/h3-12,15,17H,2,13-14,16H2,1H3/b11-8+
• InChIKey: MBJDPJQAVDZUSJ-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-[(2E)-3-phenylprop-2-en-1-yl]propanamide
• IUPAC Traditional name: N-ethyl-3-{imidazo[1,2-a]pyridin-2-yl}-N-[(2E)-3-phenylprop-2-en-1-yl]propanamide
• Synonyms: N-ethyl-3-imidazo[1,2-a]pyridin-2-yl-N-[(2E)-3-phenylprop-2-en-1-yl]propanamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3080115
• LogD (pH = 7.4): 3.0200167
• Log P: 3.0473886
• Molar Refractivity: 102.7166 cm^3
• Polarizability: 38.673733 Å^3
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.03
• LOG S: -4.22
• Polar Surface Area: 37.61 Å^2
• Rotatable Bonds: 7