2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

C12H16F3N2O3+ — CID 7450764

IUPAC2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCOCC[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3/c1-19-7-6-16-8-11(18)17-9-2-4-10(5-3-9)20-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)/p+1
InChIKeyDIKRXJIKJQGSST-UHFFFAOYSA-O
MW293.26 g/mol
LogP0.73
Rot. Bonds7

About 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (PubChem CID 7450764) has the molecular formula C12H16F3N2O3+ and a molecular weight of 293.26 g/mol. Its IUPAC name is 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.

Molecular Properties

Compound Name2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
PubChem CID7450764
Molecular FormulaC12H16F3N2O3+
Molecular Weight293.26 g/mol
Exact Mass293.11
IUPAC Name2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCOCC[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O3/c1-19-7-6-16-8-11(18)17-9-2-4-10(5-3-9)20-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)/p+1
InChIKeyDIKRXJIKJQGSST-UHFFFAOYSA-O
XLogP0.73
TPSA64.17 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-propan-2-ylazanium
CID 2098849
N-(4-methoxyphenyl)-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 46484833
2-(4-methoxyphenoxy)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711310
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]-(thiophen-2-ylmethyl)azanium
CID 7450766
3,3,3-trifluoro-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 174736453
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N'-[4-(trifluoromethoxy)phenyl]propanediamide
CID 140529911
2-(2,4-dimethoxyphenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9404556
N-(4-acetamidophenyl)-2-[methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]amino]acetamide
CID 31390122
2-(2,3,4,5,6-pentafluorophenyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 5010640
methyl 2-[[4-(trifluoromethoxy)phenyl]carbamoylamino]acetate
CID 115565125
5-hydroxy-N-[4-(trifluoromethoxy)phenyl]pentanamide
CID 79198633

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The IUPAC name of 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (CID 7450764) is 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.
What is the SMILES notation for 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The canonical SMILES for 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is COCC[NH2+]CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The InChIKey is DIKRXJIKJQGSST-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H15F3N2O3/c1-19-7-6-16-8-11(18)17-9-2-4-10(5-3-9)20-12(13,14)15/h2-5,16H,6-8H2,1H3,(H,17,18)/p+1.
What are the key properties of 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium has a molecular weight of 293.26 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is sourced from PubChem (CID 7450764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).