[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium

C18H28N3O3+ — CID 8796493

IUPAC[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H27N3O3/c1-6-21(12-17(24)20-18(3,4)5)11-16(23)19-15-9-7-14(8-10-15)13(2)22/h7-10H,6,11-12H2,1-5H3,(H,19,23)(H,20,24)/p+1
InChIKeyVYLJGOKNRTXKMY-UHFFFAOYSA-O
MW334.44 g/mol
LogP0.65
Rot. Bonds7

About [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium

[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium (PubChem CID 8796493) has the molecular formula C18H28N3O3+ and a molecular weight of 334.44 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
PubChem CID8796493
Molecular FormulaC18H28N3O3+
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H27N3O3/c1-6-21(12-17(24)20-18(3,4)5)11-16(23)19-15-9-7-14(8-10-15)13(2)22/h7-10H,6,11-12H2,1-5H3,(H,19,23)(H,20,24)/p+1
InChIKeyVYLJGOKNRTXKMY-UHFFFAOYSA-O
XLogP0.65
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
CID 8766689
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
CID 8796507
bis[2-(4-acetamidoanilino)-2-oxoethyl]-ethylazanium
CID 8780086
[2-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium
CID 8018484
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
N-(4-acetylphenyl)-N'-tert-butyloxamide
CID 108506817
[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8795974
[2-[4-(diethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(ethylamino)-2-oxoethyl]azanium
CID 9433372
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-[[(2R)-3-oxo-1-phenylbutan-2-yl]amino]ethyl]azanium
CID 8795668
[2-(4-acetamidoanilino)-2-oxoethyl]-[(2S)-1-(4-acetylanilino)-1-oxopropan-2-yl]-ethylazanium
CID 8780108
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl]-ethyl-[2-(4-methoxyanilino)-2-oxoethyl]azanium
CID 9027195

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium (CID 8796493) is [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1ccc(C(C)=O)cc1)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
The InChIKey is VYLJGOKNRTXKMY-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H27N3O3/c1-6-21(12-17(24)20-18(3,4)5)11-16(23)19-15-9-7-14(8-10-15)13(2)22/h7-10H,6,11-12H2,1-5H3,(H,19,23)(H,20,24)/p+1.
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium?
[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium has a molecular weight of 334.44 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8796493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).