[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium

C16H26N3O2+ — CID 8756671

IUPAC[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-12-8-6-7-9-13(12)17-14(20)10-19(5)11-15(21)18-16(2,3)4/h6-9H,10-11H2,1-5H3,(H,17,20)(H,18,21)/p+1
InChIKeyLLLVOHGNLJYFGR-UHFFFAOYSA-O
MW292.40 g/mol
LogP0.36
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium

[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium (PubChem CID 8756671) has the molecular formula C16H26N3O2+ and a molecular weight of 292.40 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
PubChem CID8756671
Molecular FormulaC16H26N3O2+
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium
SMILESCc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C16H25N3O2/c1-12-8-6-7-9-13(12)17-14(20)10-19(5)11-15(21)18-16(2,3)4/h6-9H,10-11H2,1-5H3,(H,17,20)(H,18,21)/p+1
InChIKeyLLLVOHGNLJYFGR-UHFFFAOYSA-O
XLogP0.36
TPSA62.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]-methylazanium
CID 8766730
[2-(2-benzylsulfanylanilino)-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
CID 8768505
[2-[2-(benzylcarbamoyl)anilino]-2-oxoethyl]-[2-(tert-butylamino)-2-oxoethyl]-methylazanium
CID 8768897
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl]azanium
CID 8768691
[2-(tert-butylamino)-2-oxoethyl]-[2-(2,3-dimethylanilino)-2-oxoethyl]-ethylazanium
CID 8795974
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-oxo-2-(4-phenyldiazenylanilino)ethyl]azanium
CID 8766744
[2-(tert-butylamino)-2-oxoethyl]-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8766648
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]azanium
CID 9222015
[2-(2,3-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9288015
[2-(2,6-dimethylanilino)-2-oxoethyl]-methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]azanium
CID 9222103
N'-tert-butyl-N-(2,3-dimethylphenyl)propanediamide
CID 108951456
[2-(tert-butylamino)-2-oxoethyl]-[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl]-methylazanium
CID 8767029

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium (CID 8756671) is [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium is Cc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium?
The InChIKey is LLLVOHGNLJYFGR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H25N3O2/c1-12-8-6-7-9-13(12)17-14(20)10-19(5)11-15(21)18-16(2,3)4/h6-9H,10-11H2,1-5H3,(H,17,20)(H,18,21)/p+1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium?
[2-(tert-butylamino)-2-oxoethyl]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium has a molecular weight of 292.40 g/mol, XLogP of 0.36, 5 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]-methyl-[2-(2-methylanilino)-2-oxoethyl]azanium is sourced from PubChem (CID 8756671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).