[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium

C21H26ClN4O3+ — CID 8779933

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25ClN4O3/c1-3-26(13-20(28)23-12-16-4-6-17(22)7-5-16)14-21(29)25-19-10-8-18(9-11-19)24-15(2)27/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)/p+1
InChIKeyOYJMTVIIAFPCCJ-UHFFFAOYSA-O
MW417.92 g/mol
LogP1.46
Rot. Bonds9

About [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium

[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium (PubChem CID 8779933) has the molecular formula C21H26ClN4O3+ and a molecular weight of 417.92 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
PubChem CID8779933
Molecular FormulaC21H26ClN4O3+
Molecular Weight417.92 g/mol
Exact Mass417.17
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C21H25ClN4O3/c1-3-26(13-20(28)23-12-16-4-6-17(22)7-5-16)14-21(29)25-19-10-8-18(9-11-19)24-15(2)27/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)/p+1
InChIKeyOYJMTVIIAFPCCJ-UHFFFAOYSA-O
XLogP1.46
TPSA91.74 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.92
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium with MolForge

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Related Compounds

bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[(4-chlorophenyl)methyl]acetamide
CID 8779934
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl]azanium
CID 8791293
ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-[2-oxo-2-(4-phenylanilino)ethyl]azanium
CID 9465124
[2-(4-chloroanilino)-2-oxoethyl]-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-methylazanium
CID 9167203
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 2470771
N-[2-(4-acetamidoanilino)-2-oxoethyl]-2-(4-chlorophenyl)acetamide
CID 112999737
ethyl-[2-(4-ethylanilino)-2-oxoethyl]-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium
CID 8906112
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl]-ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]azanium
CID 9465860
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
CID 18151252
[2-(5-chloro-2-methylanilino)-2-oxoethyl]-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]-ethylazanium
CID 8780492

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium (CID 8779933) is [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)NCc1ccc(Cl)cc1)CC(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium?
The InChIKey is OYJMTVIIAFPCCJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H25ClN4O3/c1-3-26(13-20(28)23-12-16-4-6-17(22)7-5-16)14-21(29)25-19-10-8-18(9-11-19)24-15(2)27/h4-11H,3,12-14H2,1-2H3,(H,23,28)(H,24,27)(H,25,29)/p+1.
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium?
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium has a molecular weight of 417.92 g/mol, XLogP of 1.46, 9 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl]-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8779933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).