ethyl 2-[(2-phenoxyacetyl)amino]benzoate

C17H17NO4 — CID 874248

IUPACethyl 2-[(2-phenoxyacetyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccccc1
InChIInChI=1S/C17H17NO4/c1-2-21-17(20)14-10-6-7-11-15(14)18-16(19)12-22-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyMRWIAATXNSIRNK-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.88
Rot. Bonds6

About ethyl 2-[(2-phenoxyacetyl)amino]benzoate

ethyl 2-[(2-phenoxyacetyl)amino]benzoate (PubChem CID 874248) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 2-[(2-phenoxyacetyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-phenoxyacetyl)amino]benzoate
PubChem CID874248
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 2-[(2-phenoxyacetyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)COc1ccccc1
InChIInChI=1S/C17H17NO4/c1-2-21-17(20)14-10-6-7-11-15(14)18-16(19)12-22-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19)
InChIKeyMRWIAATXNSIRNK-UHFFFAOYSA-N
XLogP2.88
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-phenoxyacetyl)amino]benzoate?
The IUPAC name of ethyl 2-[(2-phenoxyacetyl)amino]benzoate (CID 874248) is ethyl 2-[(2-phenoxyacetyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(2-phenoxyacetyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(2-phenoxyacetyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)COc1ccccc1.
What is the InChIKey of ethyl 2-[(2-phenoxyacetyl)amino]benzoate?
The InChIKey is MRWIAATXNSIRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-21-17(20)14-10-6-7-11-15(14)18-16(19)12-22-13-8-4-3-5-9-13/h3-11H,2,12H2,1H3,(H,18,19).
What are the key properties of ethyl 2-[(2-phenoxyacetyl)amino]benzoate?
ethyl 2-[(2-phenoxyacetyl)amino]benzoate has a molecular weight of 299.33 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-phenoxyacetyl)amino]benzoate is sourced from PubChem (CID 874248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).