[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate

C16H23NO3 — CID 2540902

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C16H23NO3/c1-11-6-7-13(8-12(11)2)9-15(19)20-10-14(18)17-16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,18)
InChIKeyMUVJXEBOAZXJEC-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.30
Rot. Bonds4

About [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate

[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate (PubChem CID 2540902) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
PubChem CID2540902
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
SMILESCc1ccc(CC(=O)OCC(=O)NC(C)(C)C)cc1C
InChIInChI=1S/C16H23NO3/c1-11-6-7-13(8-12(11)2)9-15(19)20-10-14(18)17-16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,18)
InChIKeyMUVJXEBOAZXJEC-UHFFFAOYSA-N
XLogP2.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904361
[2-(tert-butylamino)-2-oxoethyl] 2-(2-methylphenyl)acetate
CID 7489138
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8535763
[2-(tert-butylcarbamoylamino)-2-oxoethyl] 2-(3,4-dichlorophenyl)acetate
CID 2536266
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-(3,4-dimethylphenyl)acetate
CID 8952411
[2-[2-[4-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 8847365
[2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904878
ethyl 2-[[2-[2-(3,4-dimethylphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7904826
[(2S)-1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738345
N-(1-amino-2,3-dimethylbutan-2-yl)-2-(3,4-dimethylphenyl)acetamide
CID 81486693
[2-[[(1S,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 11907724
[2-[[(1R)-1-(4-bromophenyl)propyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904431

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate (CID 2540902) is [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate is Cc1ccc(CC(=O)OCC(=O)NC(C)(C)C)cc1C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
The InChIKey is MUVJXEBOAZXJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c1-11-6-7-13(8-12(11)2)9-15(19)20-10-14(18)17-16(3,4)5/h6-8H,9-10H2,1-5H3,(H,17,18).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate?
[2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate has a molecular weight of 277.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate is sourced from PubChem (CID 2540902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).