2-dec-1-en-3-yloxy-N-pentylacetamide

C17H33NO2 — CID 139308647

IUPAC2-dec-1-en-3-yloxy-N-pentylacetamide
SMILESC=CC(CCCCCCC)OCC(=O)NCCCCC
InChIInChI=1S/C17H33NO2/c1-4-7-9-10-11-13-16(6-3)20-15-17(19)18-14-12-8-5-2/h6,16H,3-5,7-15H2,1-2H3,(H,18,19)
InChIKeyKTRNTCVQOHSLBD-UHFFFAOYSA-N
MW283.46 g/mol
LogP4.22
Rot. Bonds14

About 2-dec-1-en-3-yloxy-N-pentylacetamide

2-dec-1-en-3-yloxy-N-pentylacetamide (PubChem CID 139308647) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-dec-1-en-3-yloxy-N-pentylacetamide.

Molecular Properties

Compound Name2-dec-1-en-3-yloxy-N-pentylacetamide
PubChem CID139308647
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name2-dec-1-en-3-yloxy-N-pentylacetamide
SMILESC=CC(CCCCCCC)OCC(=O)NCCCCC
InChIInChI=1S/C17H33NO2/c1-4-7-9-10-11-13-16(6-3)20-15-17(19)18-14-12-8-5-2/h6,16H,3-5,7-15H2,1-2H3,(H,18,19)
InChIKeyKTRNTCVQOHSLBD-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 54.22
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-dec-1-en-3-yloxy-N-pentylacetamide?
The IUPAC name of 2-dec-1-en-3-yloxy-N-pentylacetamide (CID 139308647) is 2-dec-1-en-3-yloxy-N-pentylacetamide.
What is the SMILES notation for 2-dec-1-en-3-yloxy-N-pentylacetamide?
The canonical SMILES for 2-dec-1-en-3-yloxy-N-pentylacetamide is C=CC(CCCCCCC)OCC(=O)NCCCCC.
What is the InChIKey of 2-dec-1-en-3-yloxy-N-pentylacetamide?
The InChIKey is KTRNTCVQOHSLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-4-7-9-10-11-13-16(6-3)20-15-17(19)18-14-12-8-5-2/h6,16H,3-5,7-15H2,1-2H3,(H,18,19).
What are the key properties of 2-dec-1-en-3-yloxy-N-pentylacetamide?
2-dec-1-en-3-yloxy-N-pentylacetamide has a molecular weight of 283.46 g/mol, XLogP of 4.22, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-1-en-3-yloxy-N-pentylacetamide is sourced from PubChem (CID 139308647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).