2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide

C15H23F3N2O3 — CID 156533054

IUPAC2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide
SMILESC/C1=C/C(OCCNC(=O)CNC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C15H23F3N2O3/c1-11-5-3-2-4-6-12(9-11)23-8-7-19-13(21)10-20-14(22)15(16,17)18/h9,12H,2-8,10H2,1H3,(H,19,21)(H,20,22)/b11-9-
InChIKeyDPIORXGITVKGAU-LUAWRHEFSA-N
MW336.35 g/mol
LogP2.08
Rot. Bonds6

About 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide (PubChem CID 156533054) has the molecular formula C15H23F3N2O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide
PubChem CID156533054
Molecular FormulaC15H23F3N2O3
Molecular Weight336.35 g/mol
Exact Mass336.17
IUPAC Name2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide
SMILESC/C1=C/C(OCCNC(=O)CNC(=O)C(F)(F)F)CCCCC1
InChIInChI=1S/C15H23F3N2O3/c1-11-5-3-2-4-6-12(9-11)23-8-7-19-13(21)10-20-14(22)15(16,17)18/h9,12H,2-8,10H2,1H3,(H,19,21)(H,20,22)/b11-9-
InChIKeyDPIORXGITVKGAU-LUAWRHEFSA-N
XLogP2.08
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide (CID 156533054) is 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide is C/C1=C/C(OCCNC(=O)CNC(=O)C(F)(F)F)CCCCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide?
The InChIKey is DPIORXGITVKGAU-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H23F3N2O3/c1-11-5-3-2-4-6-12(9-11)23-8-7-19-13(21)10-20-14(22)15(16,17)18/h9,12H,2-8,10H2,1H3,(H,19,21)(H,20,22)/b11-9-.
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide has a molecular weight of 336.35 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[(2Z)-3-methylcyclooct-2-en-1-yl]oxyethylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 156533054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).