2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide

C15H27NO2 — CID 146256517

IUPAC2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide
SMILESCCCCCNC(=O)COC1/C=C\CCCCC1
InChIInChI=1S/C15H27NO2/c1-2-3-9-12-16-15(17)13-18-14-10-7-5-4-6-8-11-14/h7,10,14H,2-6,8-9,11-13H2,1H3,(H,16,17)/b10-7-
InChIKeyMYIHUESSUPDYFV-YFHOEESVSA-N
MW253.39 g/mol
LogP3.20
Rot. Bonds7

About 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide

2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide (PubChem CID 146256517) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide.

Molecular Properties

Compound Name2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide
PubChem CID146256517
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide
SMILESCCCCCNC(=O)COC1/C=C\CCCCC1
InChIInChI=1S/C15H27NO2/c1-2-3-9-12-16-15(17)13-18-14-10-7-5-4-6-8-11-14/h7,10,14H,2-6,8-9,11-13H2,1H3,(H,16,17)/b10-7-
InChIKeyMYIHUESSUPDYFV-YFHOEESVSA-N
XLogP3.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide?
The IUPAC name of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide (CID 146256517) is 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide.
What is the SMILES notation for 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide?
The canonical SMILES for 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide is CCCCCNC(=O)COC1/C=C\CCCCC1.
What is the InChIKey of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide?
The InChIKey is MYIHUESSUPDYFV-YFHOEESVSA-N. The full InChI is InChI=1S/C15H27NO2/c1-2-3-9-12-16-15(17)13-18-14-10-7-5-4-6-8-11-14/h7,10,14H,2-6,8-9,11-13H2,1H3,(H,16,17)/b10-7-.
What are the key properties of 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide?
2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide has a molecular weight of 253.39 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-cyclooct-2-en-1-yl]oxy-N-pentylacetamide is sourced from PubChem (CID 146256517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).