(2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate

C17H15NO5 — CID 4567049

IUPAC(2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate
SMILESNC(=O)COC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO5/c18-15(19)10-23-16(20)11-22-14-8-6-13(7-9-14)17(21)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,19)
InChIKeyLLEXLKOQNRXJSE-UHFFFAOYSA-N
MW313.31 g/mol
LogP1.32
Rot. Bonds7

About (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate

(2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate (PubChem CID 4567049) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate.

Molecular Properties

Compound Name(2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate
PubChem CID4567049
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate
SMILESNC(=O)COC(=O)COc1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO5/c18-15(19)10-23-16(20)11-22-14-8-6-13(7-9-14)17(21)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,19)
InChIKeyLLEXLKOQNRXJSE-UHFFFAOYSA-N
XLogP1.32
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate?
The IUPAC name of (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate (CID 4567049) is (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate.
What is the SMILES notation for (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate?
The canonical SMILES for (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate is NC(=O)COC(=O)COc1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate?
The InChIKey is LLEXLKOQNRXJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c18-15(19)10-23-16(20)11-22-14-8-6-13(7-9-14)17(21)12-4-2-1-3-5-12/h1-9H,10-11H2,(H2,18,19).
What are the key properties of (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate?
(2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate has a molecular weight of 313.31 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxoethyl) 2-(4-benzoylphenoxy)acetate is sourced from PubChem (CID 4567049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).