(2R)-2-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]formamido}propanamide

• ChemBase ID: 582854
• Molecular Formular: C15H20N2O4
• Molecular Mass: 292.3303
• Monoisotopic Mass: 292.14230713
• SMILES: C(=O)(N[C@@H](C(=O)N)C)c1cc(c(cc1)OCC=C)OCC
• Canonical SMILES: C=CCOc1ccc(cc1OCC)C(=O)N[C@@H](C(=O)N)C
• InChI: InChI=1S/C15H20N2O4/c1-4-8-21-12-7-6-11(9-13(12)20-5-2)15(19)17-10(3)14(16)18/h4,6-7,9-10H,1,5,8H2,2-3H3,(H2,16,18)(H,17,19)/t10-/m1/s1
• InChIKey: GREYHLOMGMGVEB-SNVBAGLBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]formamido}propanamide
• IUPAC Traditional name: (2R)-2-{[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]formamido}propanamide
• Synonyms: 4-(allyloxy)-N-[(1R)-2-amino-1-methyl-2-oxoethyl]-3-ethoxybenzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.571164
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.0600823
• LogD (pH = 7.4): 1.0600823
• Log P: 1.0600823
• Molar Refractivity: 79.2715 cm^3
• Polarizability: 30.241915 Å^3
• Polar Surface Area: 90.65 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 1.23
• LOG S: -2.38
• Polar Surface Area: 90.65 Å^2
• Rotatable Bonds: 8