N-cyclopropyl-N-[(2E)-3-phenylprop-2-en-1-yl]-2-[(prop-2-en-1-yl)amino]benzamide

• ChemBase ID: 338289
• Molecular Formular: C22H24N2O
• Molecular Mass: 332.43876
• Monoisotopic Mass: 332.1888634
• SMILES: C(=O)(c1c(NCC=C)cccc1)N(C1CC1)C/C=C/c1ccccc1
• Canonical SMILES: C=CCNc1ccccc1C(=O)N(C1CC1)C/C=C/c1ccccc1
• InChI: InChI=1S/C22H24N2O/c1-2-16-23-21-13-7-6-12-20(21)22(25)24(19-14-15-19)17-8-11-18-9-4-3-5-10-18/h2-13,19,23H,1,14-17H2/b11-8+
• InChIKey: IKEJJUVHDZGJDA-DHZHZOJOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(2E)-3-phenylprop-2-en-1-yl]-2-[(prop-2-en-1-yl)amino]benzamide
• IUPAC Traditional name: N-cyclopropyl-N-[(2E)-3-phenylprop-2-en-1-yl]-2-(prop-2-en-1-ylamino)benzamide
• Synonyms: 2-(allylamino)-N-cyclopropyl-N-[(2E)-3-phenylprop-2-en-1-yl]benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 17.921354
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 4.9246864
• LogD (pH = 7.4): 4.925213
• Log P: 4.9252195
• Molar Refractivity: 106.4287 cm^3
• Polarizability: 39.373203 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 4.16
• LOG S: -5.17
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 8