N-cyclopropyl-4-[(1E)-pent-1-en-1-yl]benzamide

• ChemBase ID: 434522
• Molecular Formular: C15H19NO
• Molecular Mass: 229.31746
• Monoisotopic Mass: 229.14666423
• SMILES: C(=O)(NC1CC1)c1ccc(/C=C/CCC)cc1
• Canonical SMILES: CCC/C=C/c1ccc(cc1)C(=O)NC1CC1
• InChI: InChI=1S/C15H19NO/c1-2-3-4-5-12-6-8-13(9-7-12)15(17)16-14-10-11-14/h4-9,14H,2-3,10-11H2,1H3,(H,16,17)/b5-4+
• InChIKey: VVVDUGFLVURCRY-SNAWJCMRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-4-[(1E)-pent-1-en-1-yl]benzamide
• IUPAC Traditional name: N-cyclopropyl-4-[(1E)-pent-1-en-1-yl]benzamide
• Synonyms: N-cyclopropyl-4-[(1E)-pent-1-en-1-yl]benzamide

CALCULATED PROPERTIES

JChem

• Molar Refractivity: 71.8061 cm^3
• Polarizability: 27.00955 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.102388
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.525601
• LogD (pH = 7.4): 3.5256011
• Log P: 3.5256011

供应商提供(Chembridge)

• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 5
• H Acceptors: 1
• H Donor: 1
• Log P: 3.29
• LOG S: -3.68