methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium

C16H21F3N3O3+ — CID 8711428

IUPACmethyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N1CCOCC1
InChIInChI=1S/C16H20F3N3O3/c1-21(11-15(24)22-6-8-25-9-7-22)10-14(23)20-13-4-2-12(3-5-13)16(17,18)19/h2-5H,6-11H2,1H3,(H,20,23)/p+1
InChIKeyNBFYSRMKENMRLL-UHFFFAOYSA-O
MW360.36 g/mol
LogP0.02
Rot. Bonds5

About methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium

methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium (PubChem CID 8711428) has the molecular formula C16H21F3N3O3+ and a molecular weight of 360.36 g/mol. Its IUPAC name is methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium.

Molecular Properties

Compound Namemethyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
PubChem CID8711428
Molecular FormulaC16H21F3N3O3+
Molecular Weight360.36 g/mol
Exact Mass360.15
IUPAC Namemethyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium
SMILESC[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N1CCOCC1
InChIInChI=1S/C16H20F3N3O3/c1-21(11-15(24)22-6-8-25-9-7-22)10-14(23)20-13-4-2-12(3-5-13)16(17,18)19/h2-5H,6-11H2,1H3,(H,20,23)/p+1
InChIKeyNBFYSRMKENMRLL-UHFFFAOYSA-O
XLogP0.02
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.36
LogP ≤ 50.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium with MolForge

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Related Compounds

methyl-[2-(4-methylanilino)-2-oxoethyl]-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8588773
[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711576
[2-(4-ethoxycarbonylanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711432
[2-(3,5-dichloroanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711406
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-(phenylcarbamoylamino)ethyl]azanium
CID 8693187
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711400
[2-[4-(2,5-dimethylphenyl)sulfanylanilino]-2-oxoethyl]-methyl-(2-morpholin-4-yl-2-oxoethyl)azanium
CID 8711752
[2-(azocan-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642357
(2-anilino-2-oxoethyl)-methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]azanium
CID 8592839
2-(2-morpholin-4-ylethylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 108994837
[2-(4-methoxyanilino)-2-oxoethyl]-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-methylazanium
CID 8593005
[2-(4-chloroanilino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]azanium
CID 9348099

Frequently Asked Questions

What is the IUPAC name of methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium?
The IUPAC name of methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium (CID 8711428) is methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium.
What is the SMILES notation for methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium?
The canonical SMILES for methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium is C[NH+](CC(=O)Nc1ccc(C(F)(F)F)cc1)CC(=O)N1CCOCC1.
What is the InChIKey of methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium?
The InChIKey is NBFYSRMKENMRLL-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H20F3N3O3/c1-21(11-15(24)22-6-8-25-9-7-22)10-14(23)20-13-4-2-12(3-5-13)16(17,18)19/h2-5H,6-11H2,1H3,(H,20,23)/p+1.
What are the key properties of methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium?
methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium has a molecular weight of 360.36 g/mol, XLogP of 0.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-morpholin-4-yl-2-oxoethyl)-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]azanium is sourced from PubChem (CID 8711428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).