N,N-dibutylprop-2-enamide

• ChemBase ID: 108612
• Molecular Formular: C11H21NO
• Molecular Mass: 183.29054
• Monoisotopic Mass: 183.1623143
• SMILES: CCCCN(CCCC)C(=O)C=C
• Canonical SMILES: CCCCN(C(=O)C=C)CCCC
• InChI: InChI=1S/C11H21NO/c1-4-7-9-12(10-8-5-2)11(13)6-3/h6H,3-5,7-10H2,1-2H3
• InChIKey: DLJMSHXCPBXOKX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dibutylprop-2-enamide
• IUPAC Traditional name: N,N-dibutylprop-2-enamide
• Synonyms: N,N-DI-n-BUTYLACRYLAMIDE

Database IDs

• PubChem SID: 162106203
• PubChem CID: 10419855

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8209121
• LogD (pH = 7.4): 2.8211517
• Log P: 2.8211548
• Molar Refractivity: 56.6542 cm^3
• Polarizability: 21.963903 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05208060

MP Biomedicals Rare Chemical collection