[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate

C13H15NO5 — CID 2416190

IUPAC[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C13H15NO5/c1-18-9-13(17)19-8-12(16)14-11(15)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15,16)
InChIKeyTYLXRWKYVSVXLC-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.06
Rot. Bonds6

About [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate

[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate (PubChem CID 2416190) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate.

Molecular Properties

Compound Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate
PubChem CID2416190
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate
SMILESCOCC(=O)OCC(=O)NC(=O)Cc1ccccc1
InChIInChI=1S/C13H15NO5/c1-18-9-13(17)19-8-12(16)14-11(15)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15,16)
InChIKeyTYLXRWKYVSVXLC-UHFFFAOYSA-N
XLogP0.06
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-oxo-2-phenylmethoxyethyl) 2-methoxyacetate
CID 20645227
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 46789070
N-[2-[(2-methoxyacetyl)amino]ethyl]-2-phenylacetamide
CID 108540002
[2-(4-ethylanilino)-2-oxoethyl] 2-phenylacetate
CID 7874962
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-quinolin-2-ylpropanoate
CID 29486304
CID 172801156
CID 172801156
[2-(3-methylbutan-2-ylamino)-2-oxoethyl] 2-phenylacetate
CID 55319414
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(methylsulfamoyl)benzoate
CID 55404127
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetate
CID 33089518
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-ethoxyacetate
CID 2563950
[2-(4-iodoanilino)-2-oxoethyl] 2-methoxyacetate
CID 8018922
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-[(4-fluorophenyl)sulfonyl-methylamino]butanoate
CID 30800283

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate?
The IUPAC name of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate (CID 2416190) is [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate.
What is the SMILES notation for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate?
The canonical SMILES for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate is COCC(=O)OCC(=O)NC(=O)Cc1ccccc1.
What is the InChIKey of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate?
The InChIKey is TYLXRWKYVSVXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-18-9-13(17)19-8-12(16)14-11(15)7-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,14,15,16).
What are the key properties of [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate?
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate has a molecular weight of 265.26 g/mol, XLogP of 0.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 2-methoxyacetate is sourced from PubChem (CID 2416190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).