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

C17H26N3O3+ — CID 8766689

IUPAC[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
SMILESCC(=O)c1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-12(21)13-6-8-14(9-7-13)18-15(22)10-20(5)11-16(23)19-17(2,3)4/h6-9H,10-11H2,1-5H3,(H,18,22)(H,19,23)/p+1
InChIKeyHEBSBJYASKVXGT-UHFFFAOYSA-O
MW320.41 g/mol
LogP0.26
Rot. Bonds6

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

[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium (PubChem CID 8766689) has the molecular formula C17H26N3O3+ and a molecular weight of 320.41 g/mol. Its IUPAC name is [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
PubChem CID8766689
Molecular FormulaC17H26N3O3+
Molecular Weight320.41 g/mol
Exact Mass320.20
IUPAC Name[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
SMILESCC(=O)c1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)(C)C)cc1
InChIInChI=1S/C17H25N3O3/c1-12(21)13-6-8-14(9-7-13)18-15(22)10-20(5)11-16(23)19-17(2,3)4/h6-9H,10-11H2,1-5H3,(H,18,22)(H,19,23)/p+1
InChIKeyHEBSBJYASKVXGT-UHFFFAOYSA-O
XLogP0.26
TPSA79.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 8796493
[2-(4-acetylanilino)-2-oxoethyl]-[2-(4-methoxyanilino)-2-oxoethyl]-methylazanium
CID 9222899
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]azanium
CID 8766744
[2-(tert-butylamino)-2-oxoethyl]-[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylazanium
CID 8767414
N-(4-acetylphenyl)-N'-tert-butyloxamide
CID 108506817
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8756671
[2-(3-acetylanilino)-2-oxoethyl]-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588768
[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 8756761
N'-(4-acetamidophenyl)-N-(4-acetylphenyl)propanediamide
CID 108956176
[2-(4-acetamidoanilino)-2-oxoethyl]-[2-(4-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9253430
[2-(4-carboxyanilino)-2-oxoethyl]-(2-hydroxyethyl)-methylazanium
CID 58024766
[2-(4-acetamidoanilino)-2-oxoethyl]-ethyl-methylazanium
CID 9254626

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium (CID 8766689) is [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium is CC(=O)c1ccc(NC(=O)C[NH+](C)CC(=O)NC(C)(C)C)cc1.
What is the InChIKey of [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium?
The InChIKey is HEBSBJYASKVXGT-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H25N3O3/c1-12(21)13-6-8-14(9-7-13)18-15(22)10-20(5)11-16(23)19-17(2,3)4/h6-9H,10-11H2,1-5H3,(H,18,22)(H,19,23)/p+1.
What are the key properties of [2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium?
[2-(4-acetylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium has a molecular weight of 320.41 g/mol, XLogP of 0.26, 6 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]-methylazanium is sourced from PubChem (CID 8766689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).