[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium

C17H28N3O2+ — CID 8768622

IUPAC[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-17(2,3)18-14(21)12-20(6)15(16(22)19(4)5)13-10-8-7-9-11-13/h7-11,15H,12H2,1-6H3,(H,18,21)/p+1/t15-/m1/s1
InChIKeyWUTKGRNJYZGIEE-OAHLLOKOSA-O
MW306.43 g/mol
LogP0.25
Rot. Bonds5

About [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium

[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium (PubChem CID 8768622) has the molecular formula C17H28N3O2+ and a molecular weight of 306.43 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium
PubChem CID8768622
Molecular FormulaC17H28N3O2+
Molecular Weight306.43 g/mol
Exact Mass306.22
IUPAC Name[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium
SMILESCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC(=O)NC(C)(C)C
InChIInChI=1S/C17H27N3O2/c1-17(2,3)18-14(21)12-20(6)15(16(22)19(4)5)13-10-8-7-9-11-13/h7-11,15H,12H2,1-6H3,(H,18,21)/p+1/t15-/m1/s1
InChIKeyWUTKGRNJYZGIEE-OAHLLOKOSA-O
XLogP0.25
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.43
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(tert-butylamino)-2-oxoethyl]-[(1S)-2-(carbamoylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 8767934
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl]azanium
CID 8768184
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(1S)-2-oxo-1-phenyl-2-piperidin-1-ylethyl]azanium
CID 8768496
[2-(tert-butylamino)-2-oxoethyl]-[(2R)-1-(N-ethylanilino)-1-oxopropan-2-yl]-methylazanium
CID 8767377
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]azanium
CID 9043917
[2-(2-chloroanilino)-2-oxoethyl]-[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methylazanium
CID 9041416
[(1S)-2-(diethylamino)-2-oxo-1-phenylethyl]-methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]azanium
CID 9040030
N-tert-butyl-2-[[(2R)-2-hydroxy-2-phenylethyl]-methylamino]acetamide
CID 34900161
[2-(dimethylamino)-2-oxoethyl]-[(1S)-2-(2,5-dimethylanilino)-2-oxo-1-phenylethyl]-methylazanium
CID 8712142
N-tert-butyl-2-[[(1S)-1-phenylethyl]amino]acetamide
CID 28564730
[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl]-[2-(dimethylamino)-2-oxoethyl]-methylazanium
CID 8712164
[2-(tert-butylamino)-2-oxoethyl]-methyl-[(2R)-1-oxo-1-(2-phenylanilino)propan-2-yl]azanium
CID 8767219

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium (CID 8768622) is [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium is CN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)CC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium?
The InChIKey is WUTKGRNJYZGIEE-OAHLLOKOSA-O. The full InChI is InChI=1S/C17H27N3O2/c1-17(2,3)18-14(21)12-20(6)15(16(22)19(4)5)13-10-8-7-9-11-13/h7-11,15H,12H2,1-6H3,(H,18,21)/p+1/t15-/m1/s1.
What are the key properties of [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium?
[2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium has a molecular weight of 306.43 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl]-[(1R)-2-(dimethylamino)-2-oxo-1-phenylethyl]-methylazanium is sourced from PubChem (CID 8768622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).