2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide

C13H23NO3 — CID 123326149

IUPAC2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COC1C=CCCCCC1
InChIInChI=1S/C13H23NO3/c1-16-10-9-14-13(15)11-17-12-7-5-3-2-4-6-8-12/h5,7,12H,2-4,6,8-11H2,1H3,(H,14,15)
InChIKeyIGTGRQFNBMDLNQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.65
Rot. Bonds6

About 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide

2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide (PubChem CID 123326149) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide
PubChem CID123326149
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)COC1C=CCCCCC1
InChIInChI=1S/C13H23NO3/c1-16-10-9-14-13(15)11-17-12-7-5-3-2-4-6-8-12/h5,7,12H,2-4,6,8-11H2,1H3,(H,14,15)
InChIKeyIGTGRQFNBMDLNQ-UHFFFAOYSA-N
XLogP1.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide (CID 123326149) is 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide is COCCNC(=O)COC1C=CCCCCC1.
What is the InChIKey of 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide?
The InChIKey is IGTGRQFNBMDLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-16-10-9-14-13(15)11-17-12-7-5-3-2-4-6-8-12/h5,7,12H,2-4,6,8-11H2,1H3,(H,14,15).
What are the key properties of 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide?
2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide has a molecular weight of 241.33 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclooct-2-en-1-yloxy-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 123326149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).