ethyl 2-acetamido-2-phenylacetate

C12H15NO3 — CID 10149122

IUPACethyl 2-acetamido-2-phenylacetate
SMILESCCOC(=O)C(NC(C)=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-3-16-12(15)11(13-9(2)14)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,13,14)
InChIKeyADQCYQILCVEXBK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.43
Rot. Bonds4

About ethyl 2-acetamido-2-phenylacetate

ethyl 2-acetamido-2-phenylacetate (PubChem CID 10149122) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is ethyl 2-acetamido-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-acetamido-2-phenylacetate
PubChem CID10149122
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Nameethyl 2-acetamido-2-phenylacetate
SMILESCCOC(=O)C(NC(C)=O)c1ccccc1
InChIInChI=1S/C12H15NO3/c1-3-16-12(15)11(13-9(2)14)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,13,14)
InChIKeyADQCYQILCVEXBK-UHFFFAOYSA-N
XLogP1.43
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetamido-2-phenylacetate?
The IUPAC name of ethyl 2-acetamido-2-phenylacetate (CID 10149122) is ethyl 2-acetamido-2-phenylacetate.
What is the SMILES notation for ethyl 2-acetamido-2-phenylacetate?
The canonical SMILES for ethyl 2-acetamido-2-phenylacetate is CCOC(=O)C(NC(C)=O)c1ccccc1.
What is the InChIKey of ethyl 2-acetamido-2-phenylacetate?
The InChIKey is ADQCYQILCVEXBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-16-12(15)11(13-9(2)14)10-7-5-4-6-8-10/h4-8,11H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 2-acetamido-2-phenylacetate?
ethyl 2-acetamido-2-phenylacetate has a molecular weight of 221.26 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-acetamido-2-phenylacetate is sourced from PubChem (CID 10149122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).