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

C14H25NO2 — CID 71815916

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H25NO2/c1-5-17-11-14(16)15-10-9-13(4)8-6-7-12(2)3/h7,9H,5-6,8,10-11H2,1-4H3,(H,15,16)/b13-9+
InChIKeyRVJUFWDQMJJJLZ-UKTHLTGXSA-N
MW239.36 g/mol
LogP2.83
Rot. Bonds8

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

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide (PubChem CID 71815916) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide
PubChem CID71815916
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide
SMILESCCOCC(=O)NC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C14H25NO2/c1-5-17-11-14(16)15-10-9-13(4)8-6-7-12(2)3/h7,9H,5-6,8,10-11H2,1-4H3,(H,15,16)/b13-9+
InChIKeyRVJUFWDQMJJJLZ-UKTHLTGXSA-N
XLogP2.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide (CID 71815916) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide is CCOCC(=O)NC/C=C(\C)CCC=C(C)C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide?
The InChIKey is RVJUFWDQMJJJLZ-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H25NO2/c1-5-17-11-14(16)15-10-9-13(4)8-6-7-12(2)3/h7,9H,5-6,8,10-11H2,1-4H3,(H,15,16)/b13-9+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide has a molecular weight of 239.36 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-ethoxyacetamide is sourced from PubChem (CID 71815916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).