[2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate

C14H17NO4 — CID 171356185

IUPAC[2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate
SMILESCC(C)(C)NC(=O)COC(=O)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-14(2,3)15-11(16)9-19-13(18)12(17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeyODJJQMKNHAEFGU-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.33
Rot. Bonds4

About [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate

[2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate (PubChem CID 171356185) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name[2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate
PubChem CID171356185
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name[2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate
SMILESCC(C)(C)NC(=O)COC(=O)C(=O)c1ccccc1
InChIInChI=1S/C14H17NO4/c1-14(2,3)15-11(16)9-19-13(18)12(17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,16)
InChIKeyODJJQMKNHAEFGU-UHFFFAOYSA-N
XLogP1.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate?
The IUPAC name of [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate (CID 171356185) is [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate.
What is the SMILES notation for [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate?
The canonical SMILES for [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate is CC(C)(C)NC(=O)COC(=O)C(=O)c1ccccc1.
What is the InChIKey of [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate?
The InChIKey is ODJJQMKNHAEFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-14(2,3)15-11(16)9-19-13(18)12(17)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3,(H,15,16).
What are the key properties of [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate?
[2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate has a molecular weight of 263.29 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(tert-butylamino)-2-oxoethyl] 2-oxo-2-phenylacetate is sourced from PubChem (CID 171356185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).