N-(furan-2-ylmethyl)-N-(6-methylhept-5-en-2-yl)acetamide

• ChemBase ID: 183791
• Molecular Formular: C15H23NO2
• Molecular Mass: 249.34862
• Monoisotopic Mass: 249.17287898
• SMILES: N(C(=O)C)(Cc1occc1)C(CCC=C(C)C)C
• Canonical SMILES: CC(=CCCC(N(C(=O)C)Cc1ccco1)C)C
• InChI: InChI=1S/C15H23NO2/c1-12(2)7-5-8-13(3)16(14(4)17)11-15-9-6-10-18-15/h6-7,9-10,13H,5,8,11H2,1-4H3
• InChIKey: XZNRWRBZRCYUNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(furan-2-ylmethyl)-N-(6-methylhept-5-en-2-yl)acetamide
• IUPAC Traditional name: N-(furan-2-ylmethyl)-N-(6-methylhept-5-en-2-yl)acetamide

Database IDs

• PubChem SID: 164239701
• PubChem CID: 2866596

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.7128341
• LogD (pH = 7.4): 2.7128346
• Log P: 2.7128346
• Molar Refractivity: 74.1558 cm^3
• Polarizability: 28.411837 Å^3
• Polar Surface Area: 33.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Rotamers
• Classification: Derivatives & analogs of Natural Compounds