N-(3-methylbutyl)undec-10-enamide

• ChemBase ID: 193218
• Molecular Formular: C16H31NO
• Molecular Mass: 253.42344
• Monoisotopic Mass: 253.24056462
• SMILES: C(=O)(NCCC(C)C)CCCCCCCCC=C
• Canonical SMILES: C=CCCCCCCCCC(=O)NCCC(C)C
• InChI: InChI=1S/C16H31NO/c1-4-5-6-7-8-9-10-11-12-16(18)17-14-13-15(2)3/h4,15H,1,5-14H2,2-3H3,(H,17,18)
• InChIKey: GCDJGPJEDZENPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methylbutyl)undec-10-enamide
• IUPAC Traditional name: N-(3-methylbutyl)undec-10-enamide

Database IDs

• PubChem SID: 164249128
• PubChem CID: 3760599

CALCULATED PROPERTIES

• Acid pKa: 16.520044
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.7574015
• LogD (pH = 7.4): 4.757403
• Log P: 4.757403
• Molar Refractivity: 79.2638 cm^3
• Polarizability: 31.191328 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds