ethyl 2-formamido-2-phenylacetate

C11H13NO3 — CID 10285877

IUPACethyl 2-formamido-2-phenylacetate
SMILESCCOC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)10(12-8-13)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,12,13)
InChIKeyIDWQEIAMQNCCIL-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.04
Rot. Bonds5

About ethyl 2-formamido-2-phenylacetate

ethyl 2-formamido-2-phenylacetate (PubChem CID 10285877) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is ethyl 2-formamido-2-phenylacetate.

Molecular Properties

Compound Nameethyl 2-formamido-2-phenylacetate
PubChem CID10285877
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Nameethyl 2-formamido-2-phenylacetate
SMILESCCOC(=O)C(NC=O)c1ccccc1
InChIInChI=1S/C11H13NO3/c1-2-15-11(14)10(12-8-13)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,12,13)
InChIKeyIDWQEIAMQNCCIL-UHFFFAOYSA-N
XLogP1.04
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-formamido-2-phenylacetate?
The IUPAC name of ethyl 2-formamido-2-phenylacetate (CID 10285877) is ethyl 2-formamido-2-phenylacetate.
What is the SMILES notation for ethyl 2-formamido-2-phenylacetate?
The canonical SMILES for ethyl 2-formamido-2-phenylacetate is CCOC(=O)C(NC=O)c1ccccc1.
What is the InChIKey of ethyl 2-formamido-2-phenylacetate?
The InChIKey is IDWQEIAMQNCCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-2-15-11(14)10(12-8-13)9-6-4-3-5-7-9/h3-8,10H,2H2,1H3,(H,12,13).
What are the key properties of ethyl 2-formamido-2-phenylacetate?
ethyl 2-formamido-2-phenylacetate has a molecular weight of 207.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-formamido-2-phenylacetate is sourced from PubChem (CID 10285877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).