[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

C19H32N3O2+ — CID 8796431

IUPAC[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1c(C)cc(C)cc1C)CC(=O)NC(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-8-22(12-17(24)21-19(5,6)7)11-16(23)20-18-14(3)9-13(2)10-15(18)4/h9-10H,8,11-12H2,1-7H3,(H,20,23)(H,21,24)/p+1
InChIKeyJFKSCNTXLHYJCI-UHFFFAOYSA-O
MW334.48 g/mol
LogP1.37
Rot. Bonds6

About [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (PubChem CID 8796431) has the molecular formula C19H32N3O2+ and a molecular weight of 334.48 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
PubChem CID8796431
Molecular FormulaC19H32N3O2+
Molecular Weight334.48 g/mol
Exact Mass334.25
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
SMILESCC[NH+](CC(=O)Nc1c(C)cc(C)cc1C)CC(=O)NC(C)(C)C
InChIInChI=1S/C19H31N3O2/c1-8-22(12-17(24)21-19(5,6)7)11-16(23)20-18-14(3)9-13(2)10-15(18)4/h9-10H,8,11-12H2,1-7H3,(H,20,23)(H,21,24)/p+1
InChIKeyJFKSCNTXLHYJCI-UHFFFAOYSA-O
XLogP1.37
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.48
LogP ≤ 51.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium with MolForge

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Related Compounds

[2-(ethoxycarbonylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8905347
[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8795974
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 34162909
N-tert-butyl-2-(2,4,6-trimethylanilino)acetamide
CID 54812139
N,N'-bis(2,4,6-trimethylphenyl)propanediamide
CID 746178
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-cyanoanilino)-2-oxoethyl]-ethylazanium
CID 8796507
3-oxo-N-(2,4,6-trimethylphenyl)butanamide
CID 793589
[2-(2,6-diethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9339145
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)acetamide;hydrochloride
CID 138400573
4-N-tert-butyl-1-N-(2,4,6-trimethylphenyl)benzene-1,4-dicarboxamide
CID 48845732
methyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 8896238
2-[methyl-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 8635344

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium (CID 8796431) is [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is CC[NH+](CC(=O)Nc1c(C)cc(C)cc1C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
The InChIKey is JFKSCNTXLHYJCI-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H31N3O2/c1-8-22(12-17(24)21-19(5,6)7)11-16(23)20-18-14(3)9-13(2)10-15(18)4/h9-10H,8,11-12H2,1-7H3,(H,20,23)(H,21,24)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium has a molecular weight of 334.48 g/mol, XLogP of 1.37, 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]-ethyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium is sourced from PubChem (CID 8796431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).