ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium

C16H22F3N4O3+ — CID 9433362

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H21F3N4O3/c1-3-20-13(25)8-23(4-2)9-14(26)21-7-12(24)22-11-6-5-10(17)15(18)16(11)19/h5-6H,3-4,7-9H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)/p+1
InChIKeyDBGLSACTCXJPST-UHFFFAOYSA-O
MW375.37 g/mol
LogP-0.80
Rot. Bonds9

About ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium (PubChem CID 9433362) has the molecular formula C16H22F3N4O3+ and a molecular weight of 375.37 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
PubChem CID9433362
Molecular FormulaC16H22F3N4O3+
Molecular Weight375.37 g/mol
Exact Mass375.16
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
SMILESCCNC(=O)C[NH+](CC)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C16H21F3N4O3/c1-3-20-13(25)8-23(4-2)9-14(26)21-7-12(24)22-11-6-5-10(17)15(18)16(11)19/h5-6H,3-4,7-9H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)/p+1
InChIKeyDBGLSACTCXJPST-UHFFFAOYSA-O
XLogP-0.80
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium with MolForge

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]azanium
CID 8905305
(4-methoxyphenyl)methyl-methyl-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8761097
2-(1-hydroxycyclopentyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 111430472
3-(4-methylphenyl)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide
CID 16574561
2-[[N-ethyl-N'-[(4-fluorophenyl)methyl]carbamimidoyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 111231901
2-(cyclopropylamino)-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]acetamide
CID 9461038
2-(2-methylpropylcarbamoylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 41468828
2-[(N'-methylcarbamimidoyl)amino]-N-(2,3,4-trifluorophenyl)acetamide;hydroiodide
CID 110913519
2-amino-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]propanamide;hydrochloride
CID 119268558
cyclopropyl-[(4-fluorophenyl)methyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium
CID 8905793
[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl] 4-ethylbenzoate
CID 7364824
2-(2-methylprop-2-enylcarbamothioylamino)-N-(2,3,4-trifluorophenyl)acetamide
CID 7945322

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium (CID 9433362) is ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium is CCNC(=O)C[NH+](CC)CC(=O)NCC(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium?
The InChIKey is DBGLSACTCXJPST-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H21F3N4O3/c1-3-20-13(25)8-23(4-2)9-14(26)21-7-12(24)22-11-6-5-10(17)15(18)16(11)19/h5-6H,3-4,7-9H2,1-2H3,(H,20,25)(H,21,26)(H,22,24)/p+1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium has a molecular weight of 375.37 g/mol, XLogP of -0.80, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[2-oxo-2-[[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]amino]ethyl]azanium is sourced from PubChem (CID 9433362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).