[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium

C16H23N4O2+ — CID 8756761

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(C#N)c1)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-16(2,3)19-15(22)11-20(4)10-14(21)18-13-7-5-6-12(8-13)9-17/h5-8H,10-11H2,1-4H3,(H,18,21)(H,19,22)/p+1
InChIKeyQNYGWGQCOLYWDA-UHFFFAOYSA-O
MW303.39 g/mol
LogP-0.07
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium (PubChem CID 8756761) has the molecular formula C16H23N4O2+ and a molecular weight of 303.39 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
PubChem CID8756761
Molecular FormulaC16H23N4O2+
Molecular Weight303.39 g/mol
Exact Mass303.18
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
SMILESC[NH+](CC(=O)Nc1cccc(C#N)c1)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H22N4O2/c1-16(2,3)19-15(22)11-20(4)10-14(21)18-13-7-5-6-12(8-13)9-17/h5-8H,10-11H2,1-4H3,(H,18,21)(H,19,22)/p+1
InChIKeyQNYGWGQCOLYWDA-UHFFFAOYSA-O
XLogP-0.07
TPSA86.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[2-(tert-butylamino)-2-oxoethyl]-ethylamino]-N-(3-cyanophenyl)acetamide
CID 8796170
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
3-(tert-butylamino)-N-(3-cyanophenyl)propanamide
CID 60716477
2-(4-bromophenoxy)ethyl-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9288825
[2-(3-cyanoanilino)-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 9251576
[2-(3-cyanoanilino)-2-oxoethyl]-methyl-[(4-propan-2-ylphenyl)methyl]azanium
CID 9028568
2-(4-chlorophenoxy)ethyl-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium
CID 9252388
(2S)-2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(3-cyanophenyl)propanamide
CID 8767213
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
CID 8796507
1-(3-cyanophenyl)-3-(1-hydroxy-2-methylpropan-2-yl)urea
CID 43501248
(3-cyanophenyl)methyl-methyl-[2-(4-methylanilino)-2-oxoethyl]azanium
CID 8588703

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium (CID 8756761) is [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium is C[NH+](CC(=O)Nc1cccc(C#N)c1)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium?
The InChIKey is QNYGWGQCOLYWDA-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N4O2/c1-16(2,3)19-15(22)11-20(4)10-14(21)18-13-7-5-6-12(8-13)9-17/h5-8H,10-11H2,1-4H3,(H,18,21)(H,19,22)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-(3-cyanoanilino)-2-oxoethyl]-methylazanium has a molecular weight of 303.39 g/mol, XLogP of -0.07, 5 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-(3-cyanoanilino)-2-oxoethyl]-methylazanium is sourced from PubChem (CID 8756761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).