[2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate

C14H19NO3 — CID 2604572

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-10-7-5-6-8-11(10)13(17)18-9-12(16)15-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyBPGRSJYCMYOSPX-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.07
Rot. Bonds3

About [2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate

[2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate (PubChem CID 2604572) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate
PubChem CID2604572
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate
SMILESCc1ccccc1C(=O)OCC(=O)NC(C)(C)C
InChIInChI=1S/C14H19NO3/c1-10-7-5-6-8-11(10)13(17)18-9-12(16)15-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,16)
InChIKeyBPGRSJYCMYOSPX-UHFFFAOYSA-N
XLogP2.07
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Meprylcaine
CID 4065
1-Propanol, 2-methyl-2-(propylamino)-, 1-benzoate, hydrochloride (1:1)
CID 101925
Ethanaminium, N,N,N-trimethyl-2-((2-methylbenzoyl)oxy)-, iodide (1:1)
CID 193633
[2-(Cyclopropylamino)-2-oxoethyl] 3-fluorobenzoate
CID 2100132
[2-(Cyclopropylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2334847
[2-(Cyclopentylamino)-2-oxoethyl] benzoate
CID 2346228
[2-(Cycloheptylamino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2431635
[2-Oxo-2-(2,2,2-trifluoroethylamino)ethyl] 4-ethylbenzoate
CID 2445929
[2-(Butylamino)-2-oxoethyl] 2-fluorobenzoate
CID 2491225
(1-Amino-1-oxopropan-2-yl) 2-(2-phenylethyl)benzoate
CID 3421461
[1-[2-(Cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] benzoate
CID 3947743
(2-Amino-2-oxoethyl) 4-phenylbenzoate
CID 2097777

Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate (CID 2604572) is [2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate is Cc1ccccc1C(=O)OCC(=O)NC(C)(C)C.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate?
The InChIKey is BPGRSJYCMYOSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-10-7-5-6-8-11(10)13(17)18-9-12(16)15-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,16).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate?
[2-(tert-butylamino)-2-oxoethyl] 2-methylbenzoate has a molecular weight of 249.31 g/mol, XLogP of 2.07, 3 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-methylbenzoate is sourced from PubChem (CID 2604572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).