N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide

C16H25F3N2O4 — CID 156530985

IUPACN-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(COC1/C=C\CCCCC1)NCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C16H25F3N2O4/c17-16(18,19)15(23)21-9-11-24-10-8-20-14(22)12-25-13-6-4-2-1-3-5-7-13/h4,6,13H,1-3,5,7-12H2,(H,20,22)(H,21,23)/b6-4-
InChIKeyUJZYQGHQAXXGNE-XQRVVYSFSA-N
MW366.38 g/mol
LogP1.70
Rot. Bonds9

About N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide

N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 156530985) has the molecular formula C16H25F3N2O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide
PubChem CID156530985
Molecular FormulaC16H25F3N2O4
Molecular Weight366.38 g/mol
Exact Mass366.18
IUPAC NameN-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(COC1/C=C\CCCCC1)NCCOCCNC(=O)C(F)(F)F
InChIInChI=1S/C16H25F3N2O4/c17-16(18,19)15(23)21-9-11-24-10-8-20-14(22)12-25-13-6-4-2-1-3-5-7-13/h4,6,13H,1-3,5,7-12H2,(H,20,22)(H,21,23)/b6-4-
InChIKeyUJZYQGHQAXXGNE-XQRVVYSFSA-N
XLogP1.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide (CID 156530985) is N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide is O=C(COC1/C=C\CCCCC1)NCCOCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is UJZYQGHQAXXGNE-XQRVVYSFSA-N. The full InChI is InChI=1S/C16H25F3N2O4/c17-16(18,19)15(23)21-9-11-24-10-8-20-14(22)12-25-13-6-4-2-1-3-5-7-13/h4,6,13H,1-3,5,7-12H2,(H,20,22)(H,21,23)/b6-4-.
What are the key properties of N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 366.38 g/mol, XLogP of 1.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[[2-[(2Z)-cyclooct-2-en-1-yl]oxyacetyl]amino]ethoxy]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 156530985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).