(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide

C15H25NO — CID 11564919

IUPAC(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H25NO/c1-6-14(5)15(17)16-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3,(H,16,17)/b13-10+,14-6+
InChIKeyBCPUYVIVMMZWTC-KRDNBFTESA-N
MW235.37 g/mol
LogP3.76
Rot. Bonds6

About (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide

(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide (PubChem CID 11564919) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide
PubChem CID11564919
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C15H25NO/c1-6-14(5)15(17)16-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3,(H,16,17)/b13-10+,14-6+
InChIKeyBCPUYVIVMMZWTC-KRDNBFTESA-N
XLogP3.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide (CID 11564919) is (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide is C/C=C(\C)C(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide?
The InChIKey is BCPUYVIVMMZWTC-KRDNBFTESA-N. The full InChI is InChI=1S/C15H25NO/c1-6-14(5)15(17)16-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3,(H,16,17)/b13-10+,14-6+.
What are the key properties of (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide?
(E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide has a molecular weight of 235.37 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-methylbut-2-enamide is sourced from PubChem (CID 11564919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).