2-(dimethylamino)ethyl 2-oxo-2-phenylacetate

C12H15NO3 — CID 11806246

IUPAC2-(dimethylamino)ethyl 2-oxo-2-phenylacetate
SMILESCN(C)CCOC(=O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-13(2)8-9-16-12(15)11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyOQTMRMNQFOOEJZ-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.97
Rot. Bonds5

About 2-(dimethylamino)ethyl 2-oxo-2-phenylacetate

2-(dimethylamino)ethyl 2-oxo-2-phenylacetate (PubChem CID 11806246) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-oxo-2-phenylacetate.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-oxo-2-phenylacetate
PubChem CID11806246
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name2-(dimethylamino)ethyl 2-oxo-2-phenylacetate
SMILESCN(C)CCOC(=O)C(=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-13(2)8-9-16-12(15)11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
InChIKeyOQTMRMNQFOOEJZ-UHFFFAOYSA-N
XLogP0.97
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.97
H-Bond Donors ≤ 50
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-(dimethylamino)ethyl 2-oxo-2-phenylacetate?
The IUPAC name of 2-(dimethylamino)ethyl 2-oxo-2-phenylacetate (CID 11806246) is 2-(dimethylamino)ethyl 2-oxo-2-phenylacetate.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-oxo-2-phenylacetate?
The canonical SMILES for 2-(dimethylamino)ethyl 2-oxo-2-phenylacetate is CN(C)CCOC(=O)C(=O)c1ccccc1.
What is the InChIKey of 2-(dimethylamino)ethyl 2-oxo-2-phenylacetate?
The InChIKey is OQTMRMNQFOOEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-13(2)8-9-16-12(15)11(14)10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethyl 2-oxo-2-phenylacetate?
2-(dimethylamino)ethyl 2-oxo-2-phenylacetate has a molecular weight of 221.26 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-oxo-2-phenylacetate is sourced from PubChem (CID 11806246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).