N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide

C14H21F3N2O3 — CID 162620938

IUPACN-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(COC1C=CCCCCC1)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)19-9-8-18-12(20)10-22-11-6-4-2-1-3-5-7-11/h4,6,11H,1-3,5,7-10H2,(H,18,20)(H,19,21)
InChIKeyKFDYQRQZPMXZRL-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.69
Rot. Bonds6

About N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide

N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 162620938) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
PubChem CID162620938
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC NameN-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide
SMILESO=C(COC1C=CCCCCC1)NCCNC(=O)C(F)(F)F
InChIInChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)19-9-8-18-12(20)10-22-11-6-4-2-1-3-5-7-11/h4,6,11H,1-3,5,7-10H2,(H,18,20)(H,19,21)
InChIKeyKFDYQRQZPMXZRL-UHFFFAOYSA-N
XLogP1.69
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.69
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide (CID 162620938) is N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is O=C(COC1C=CCCCCC1)NCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is KFDYQRQZPMXZRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O3/c15-14(16,17)13(21)19-9-8-18-12(20)10-22-11-6-4-2-1-3-5-7-11/h4,6,11H,1-3,5,7-10H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 322.33 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-cyclooct-2-en-1-yloxyacetyl)amino]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 162620938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).