(2E,4E)-N-cyclohexylocta-2,4-dienamide

C14H23NO — CID 11074950

IUPAC(2E,4E)-N-cyclohexylocta-2,4-dienamide
SMILESCCC/C=C/C=C/C(=O)NC1CCCCC1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-9-12-14(16)15-13-10-7-6-8-11-13/h4-5,9,12-13H,2-3,6-8,10-11H2,1H3,(H,15,16)/b5-4+,12-9+
InChIKeyQHHBKSANBMAIER-OWZSENBOSA-N
MW221.34 g/mol
LogP3.35
Rot. Bonds5

About (2E,4E)-N-cyclohexylocta-2,4-dienamide

(2E,4E)-N-cyclohexylocta-2,4-dienamide (PubChem CID 11074950) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (2E,4E)-N-cyclohexylocta-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-cyclohexylocta-2,4-dienamide
PubChem CID11074950
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(2E,4E)-N-cyclohexylocta-2,4-dienamide
SMILESCCC/C=C/C=C/C(=O)NC1CCCCC1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-9-12-14(16)15-13-10-7-6-8-11-13/h4-5,9,12-13H,2-3,6-8,10-11H2,1H3,(H,15,16)/b5-4+,12-9+
InChIKeyQHHBKSANBMAIER-OWZSENBOSA-N
XLogP3.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-cyclohexylocta-2,4-dienamide?
The IUPAC name of (2E,4E)-N-cyclohexylocta-2,4-dienamide (CID 11074950) is (2E,4E)-N-cyclohexylocta-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-cyclohexylocta-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-cyclohexylocta-2,4-dienamide is CCC/C=C/C=C/C(=O)NC1CCCCC1.
What is the InChIKey of (2E,4E)-N-cyclohexylocta-2,4-dienamide?
The InChIKey is QHHBKSANBMAIER-OWZSENBOSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-9-12-14(16)15-13-10-7-6-8-11-13/h4-5,9,12-13H,2-3,6-8,10-11H2,1H3,(H,15,16)/b5-4+,12-9+.
What are the key properties of (2E,4E)-N-cyclohexylocta-2,4-dienamide?
(2E,4E)-N-cyclohexylocta-2,4-dienamide has a molecular weight of 221.34 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-cyclohexylocta-2,4-dienamide is sourced from PubChem (CID 11074950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).