2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate

C12H14NO5- — CID 7322054

IUPAC2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate
SMILESO=C([O-])COCC(=O)NCCOc1ccccc1
InChIInChI=1S/C12H15NO5/c14-11(8-17-9-12(15)16)13-6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)/p-1
InChIKeyJHLOFOXFKHWKNI-UHFFFAOYSA-M
MW252.25 g/mol
LogP-1.05
Rot. Bonds8

About 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate

2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate (PubChem CID 7322054) has the molecular formula C12H14NO5- and a molecular weight of 252.25 g/mol. Its IUPAC name is 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate.

Molecular Properties

Compound Name2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate
PubChem CID7322054
Molecular FormulaC12H14NO5-
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate
SMILESO=C([O-])COCC(=O)NCCOc1ccccc1
InChIInChI=1S/C12H15NO5/c14-11(8-17-9-12(15)16)13-6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)/p-1
InChIKeyJHLOFOXFKHWKNI-UHFFFAOYSA-M
XLogP-1.05
TPSA87.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 5-1.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-oxo-4-(2-phenoxyethylamino)butanoate
CID 9156478
N-[2-[(2-phenoxyacetyl)amino]ethyl]-2-(2-phenoxyethoxy)acetamide
CID 47045190
N-(2-hydroxyethyl)-2-(2-phenoxyethoxy)acetamide
CID 78883192
2-(4-methoxyphenoxy)-N-(2-phenoxyethyl)acetamide
CID 2265793
N-[2-(4-methoxyphenoxy)ethyl]-2-phenoxyacetamide
CID 17468348
2-[2-oxo-2-[4-(2-phenylethoxy)anilino]ethoxy]acetate
CID 7320451
N-[2-(3,5-dimethylphenoxy)ethyl]-2-phenoxyacetamide
CID 19173987
4-hydroxy-N-(2-phenoxyethyl)pentanamide
CID 79191898
2-(4-bromophenoxy)-N-(3-phenoxypropyl)acetamide
CID 9245994
2-(3,4-difluorophenoxy)-N-(2-phenoxyethyl)acetamide
CID 35057390
[2-oxo-2-(2-phenoxyethylamino)ethyl] 4-benzoylbenzoate
CID 8534586
N-(2-phenoxyethyl)-2-quinazolin-4-yloxyacetamide
CID 78801696

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate?
The IUPAC name of 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate (CID 7322054) is 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate.
What is the SMILES notation for 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate?
The canonical SMILES for 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate is O=C([O-])COCC(=O)NCCOc1ccccc1.
What is the InChIKey of 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate?
The InChIKey is JHLOFOXFKHWKNI-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO5/c14-11(8-17-9-12(15)16)13-6-7-18-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,13,14)(H,15,16)/p-1.
What are the key properties of 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate?
2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate has a molecular weight of 252.25 g/mol, XLogP of -1.05, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-2-(2-phenoxyethylamino)ethoxy]acetate is sourced from PubChem (CID 7322054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).