[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

C16H23F3N3O3+ — CID 9366798

IUPAC[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O3/c1-4-22(5-2)15(24)11-21(3)10-14(23)20-12-6-8-13(9-7-12)25-16(17,18)19/h6-9H,4-5,10-11H2,1-3H3,(H,20,23)/p+1
InChIKeyNMVAMTHJNSSEEB-UHFFFAOYSA-O
MW362.37 g/mol
LogP0.91
Rot. Bonds8

About [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium

[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (PubChem CID 9366798) has the molecular formula C16H23F3N3O3+ and a molecular weight of 362.37 g/mol. Its IUPAC name is [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.

Molecular Properties

Compound Name[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
PubChem CID9366798
Molecular FormulaC16H23F3N3O3+
Molecular Weight362.37 g/mol
Exact Mass362.17
IUPAC Name[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
SMILESCCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O3/c1-4-22(5-2)15(24)11-21(3)10-14(23)20-12-6-8-13(9-7-12)25-16(17,18)19/h6-9H,4-5,10-11H2,1-3H3,(H,20,23)/p+1
InChIKeyNMVAMTHJNSSEEB-UHFFFAOYSA-O
XLogP0.91
TPSA63.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium with MolForge

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Related Compounds

(2-anilino-2-oxoethyl)-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366572
[2-(methoxycarbonylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366371
[2-(diethylamino)-2-oxoethyl]-[2-[4-[(4-methoxyphenyl)carbamoyl]anilino]-2-oxoethyl]-methylazanium
CID 8692370
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]azanium
CID 8692076
[2-[[(2S)-1-(ethylamino)-1-oxopropan-2-yl]amino]-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642492
methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366235
[2-(azocan-1-yl)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8642357
methyl-[2-oxo-2-(2-propan-2-ylanilino)ethyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366621
methyl-[(5-methylfuran-2-yl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9102772
methyl-[(4-nitrophenyl)methyl]-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 9366427
[2-(diethylamino)-2-oxoethyl]-[2-[(2,2-difluoro-1,3-benzodioxol-5-yl)amino]-2-oxoethyl]-methylazanium
CID 8692624
(2-methoxy-5-methylphenyl)methyl-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium
CID 8641842

Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The IUPAC name of [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium (CID 9366798) is [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium.
What is the SMILES notation for [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The canonical SMILES for [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is CCN(CC)C(=O)C[NH+](C)CC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
The InChIKey is NMVAMTHJNSSEEB-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22F3N3O3/c1-4-22(5-2)15(24)11-21(3)10-14(23)20-12-6-8-13(9-7-12)25-16(17,18)19/h6-9H,4-5,10-11H2,1-3H3,(H,20,23)/p+1.
What are the key properties of [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium?
[2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium has a molecular weight of 362.37 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-2-oxoethyl]-methyl-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]azanium is sourced from PubChem (CID 9366798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).