N-(prop-2-en-1-yl)-N-propyl-1-benzofuran-2-carboxamide

• ChemBase ID: 357168
• Molecular Formular: C15H17NO2
• Molecular Mass: 243.30098
• Monoisotopic Mass: 243.12592879
• SMILES: c1(oc2c(c1)cccc2)C(=O)N(CC=C)CCC
• Canonical SMILES: CCCN(C(=O)c1cc2c(o1)cccc2)CC=C
• InChI: InChI=1S/C15H17NO2/c1-3-9-16(10-4-2)15(17)14-11-12-7-5-6-8-13(12)18-14/h3,5-8,11H,1,4,9-10H2,2H3
• InChIKey: OLQWZMBGNHMYPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)-N-propyl-1-benzofuran-2-carboxamide
• IUPAC Traditional name: N-(prop-2-en-1-yl)-N-propyl-1-benzofuran-2-carboxamide
• Synonyms: N-allyl-N-propyl-1-benzofuran-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.960943
• LogD (pH = 7.4): 2.960943
• Log P: 2.960943
• Molar Refractivity: 72.0837 cm^3
• Polarizability: 28.371775 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.41
• LOG S: -3.03
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 5