ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium

C16H23F3N3O2+ — CID 9433290

IUPACethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
SMILESCCNC(=O)C[NH+](CC)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O2/c1-4-20-14(23)10-22(5-2)11(3)15(24)21-13-8-6-12(7-9-13)16(17,18)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,23)(H,21,24)/p+1/t11-/m0/s1
InChIKeyIPYYCUGQPCDMAQ-NSHDSACASA-O
MW346.37 g/mol
LogP1.07
Rot. Bonds7

About ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium

ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium (PubChem CID 9433290) has the molecular formula C16H23F3N3O2+ and a molecular weight of 346.37 g/mol. Its IUPAC name is ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium.

Molecular Properties

Compound Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
PubChem CID9433290
Molecular FormulaC16H23F3N3O2+
Molecular Weight346.37 g/mol
Exact Mass346.17
IUPAC Nameethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
SMILESCCNC(=O)C[NH+](CC)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O2/c1-4-20-14(23)10-22(5-2)11(3)15(24)21-13-8-6-12(7-9-13)16(17,18)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,23)(H,21,24)/p+1/t11-/m0/s1
InChIKeyIPYYCUGQPCDMAQ-NSHDSACASA-O
XLogP1.07
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.37
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium with MolForge

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]azanium
CID 8791503
ethyl-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-(thiophen-2-ylmethyl)azanium
CID 8718494
ethyl-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]-(thiophen-2-ylmethyl)azanium
CID 8718491
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium
CID 8767336
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
ethyl-[2-(4-methoxyanilino)-2-oxoethyl]-[(2R)-1-oxo-1-(4-propan-2-ylanilino)propan-2-yl]azanium
CID 9026866
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 112999463
2-(dimethylamino)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 17496516

Frequently Asked Questions

What is the IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium?
The IUPAC name of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium (CID 9433290) is ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium.
What is the SMILES notation for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium?
The canonical SMILES for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium is CCNC(=O)C[NH+](CC)[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium?
The InChIKey is IPYYCUGQPCDMAQ-NSHDSACASA-O. The full InChI is InChI=1S/C16H22F3N3O2/c1-4-20-14(23)10-22(5-2)11(3)15(24)21-13-8-6-12(7-9-13)16(17,18)19/h6-9,11H,4-5,10H2,1-3H3,(H,20,23)(H,21,24)/p+1/t11-/m0/s1.
What are the key properties of ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium?
ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium has a molecular weight of 346.37 g/mol, XLogP of 1.07, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[2-(ethylamino)-2-oxoethyl]-[(2S)-1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl]azanium is sourced from PubChem (CID 9433290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).