N-(prop-2-en-1-yl)-N-[2-(prop-2-en-1-yloxy)phenyl]propanamide

• ChemBase ID: 53586
• Molecular Formular: C15H19NO2
• Molecular Mass: 245.31686
• Monoisotopic Mass: 245.14157885
• SMILES: N(c1c(OCC=C)cccc1)(C(=O)CC)CC=C
• Canonical SMILES: C=CCOc1ccccc1N(C(=O)CC)CC=C
• InChI: InChI=1S/C15H19NO2/c1-4-11-16(15(17)6-3)13-9-7-8-10-14(13)18-12-5-2/h4-5,7-10H,1-2,6,11-12H2,3H3
• InChIKey: WALJHXYXSNRKMN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(prop-2-en-1-yl)-N-[2-(prop-2-en-1-yloxy)phenyl]propanamide
• IUPAC Traditional name: N-(prop-2-en-1-yl)-N-[2-(prop-2-en-1-yloxy)phenyl]propanamide
• Synonyms: N-Allyl-N-[2-(allyloxy)phenyl]propanamide

Database IDs

• MDL Number: MFCD17676106
• PubChem SID: 162058349
• PubChem CID: 50938267

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0803864
• LogD (pH = 7.4): 3.0803864
• Log P: 3.0803864
• Molar Refractivity: 73.4524 cm^3
• Polarizability: 28.29901 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false