[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium

C18H30N3O2+ — CID 8795974

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cccc(C)c1C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-7-21(12-17(23)20-18(4,5)6)11-16(22)19-15-10-8-9-13(2)14(15)3/h8-10H,7,11-12H2,1-6H3,(H,19,22)(H,20,23)/p+1
InChIKeyYUJJRNDQKXJWCI-UHFFFAOYSA-O
MW320.46 g/mol
LogP1.06
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium

[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium (PubChem CID 8795974) has the molecular formula C18H30N3O2+ and a molecular weight of 320.46 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium
PubChem CID8795974
Molecular FormulaC18H30N3O2+
Molecular Weight320.46 g/mol
Exact Mass320.23
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium
SMILESCC[NH+](CC(=O)Nc1cccc(C)c1C)CC(=O)NC(C)(C)C
InChIInChI=1S/C18H29N3O2/c1-7-21(12-17(23)20-18(4,5)6)11-16(22)19-15-10-8-9-13(2)14(15)3/h8-10H,7,11-12H2,1-6H3,(H,19,22)(H,20,23)/p+1
InChIKeyYUJJRNDQKXJWCI-UHFFFAOYSA-O
XLogP1.06
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium with MolForge

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Related Compounds

N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
[2-(2,3-dimethylanilino)-2-oxoethyl]-[2-(ethoxycarbonylamino)-2-oxoethyl]-ethylazanium
CID 8905068
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
CID 8756671
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8796431
[2-(2-benzylsulfanylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-ethylazanium
CID 9039366
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepane-1,4-diium-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9131013
N-(2,3-dimethylphenyl)-2-hydroxyacetamide
CID 16769655
[2-(2,6-dimethylanilino)-2-oxoethyl]-ethyl-[2-(2-methoxyanilino)-2-oxoethyl]azanium
CID 2535338
[2-(3-chloro-2-methylanilino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9287833
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
CID 8796507
N-tert-butyl-3-[[2-(2,3-dimethylanilino)-2-oxoethyl]amino]benzamide
CID 54844261

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium (CID 8795974) is [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium is CC[NH+](CC(=O)Nc1cccc(C)c1C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium?
The InChIKey is YUJJRNDQKXJWCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H29N3O2/c1-7-21(12-17(23)20-18(4,5)6)11-16(22)19-15-10-8-9-13(2)14(15)3/h8-10H,7,11-12H2,1-6H3,(H,19,22)(H,20,23)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium has a molecular weight of 320.46 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium is sourced from PubChem (CID 8795974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).