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

C17H25N4O2+ — CID 8796507

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H24N4O2/c1-5-21(12-16(23)20-17(2,3)4)11-15(22)19-14-8-6-13(10-18)7-9-14/h6-9H,5,11-12H2,1-4H3,(H,19,22)(H,20,23)/p+1
InChIKeyJJVUUPDWTFNVBG-UHFFFAOYSA-O
MW317.41 g/mol
LogP0.32
Rot. Bonds6

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

[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium (PubChem CID 8796507) has the molecular formula C17H25N4O2+ and a molecular weight of 317.41 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
PubChem CID8796507
Molecular FormulaC17H25N4O2+
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H24N4O2/c1-5-21(12-16(23)20-17(2,3)4)11-15(22)19-14-8-6-13(10-18)7-9-14/h6-9H,5,11-12H2,1-4H3,(H,19,22)(H,20,23)/p+1
InChIKeyJJVUUPDWTFNVBG-UHFFFAOYSA-O
XLogP0.32
TPSA86.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.32
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-(tert-butylamino)-2-oxoethyl]-[2-(3-chloro-4-cyanoanilino)-2-oxoethyl]-ethylazanium
CID 8018484
N'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 8756761
N-tert-butyl-3-(4-cyanoanilino)propanamide
CID 109031416
N,N'-bis(4-cyanophenyl)propanediamide
CID 108956949
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8796431
[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8795974
N-(4-cyanophenyl)pentanamide
CID 2162994
[2-(4-acetamidoanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)-ethylazanium
CID 8779879
N-(4-cyanophenyl)-2,2-dimethylpropanamide
CID 4927441
N,N'-bis(4-cyanophenyl)pentanediamide
CID 730657

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium (CID 8796507) is [2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1ccc(C#N)cc1)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium?
The InChIKey is JJVUUPDWTFNVBG-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N4O2/c1-5-21(12-16(23)20-17(2,3)4)11-15(22)19-14-8-6-13(10-18)7-9-14/h6-9H,5,11-12H2,1-4H3,(H,19,22)(H,20,23)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium has a molecular weight of 317.41 g/mol, XLogP of 0.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8796507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).