[2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate

C17H17NO4 — CID 2122413

IUPAC[2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H17NO4/c19-16(18-11-14-7-3-1-4-8-14)12-22-17(20)13-21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
InChIKeyOXJZENRUUHYKCH-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.92
Rot. Bonds7

About [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate

[2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate (PubChem CID 2122413) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate.

Molecular Properties

Compound Name[2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate
PubChem CID2122413
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Name[2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate
SMILESO=C(COC(=O)COc1ccccc1)NCc1ccccc1
InChIInChI=1S/C17H17NO4/c19-16(18-11-14-7-3-1-4-8-14)12-22-17(20)13-21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19)
InChIKeyOXJZENRUUHYKCH-UHFFFAOYSA-N
XLogP1.92
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate?
The IUPAC name of [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate (CID 2122413) is [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate.
What is the SMILES notation for [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate?
The canonical SMILES for [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate is O=C(COC(=O)COc1ccccc1)NCc1ccccc1.
What is the InChIKey of [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate?
The InChIKey is OXJZENRUUHYKCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c19-16(18-11-14-7-3-1-4-8-14)12-22-17(20)13-21-15-9-5-2-6-10-15/h1-10H,11-13H2,(H,18,19).
What are the key properties of [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate?
[2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate has a molecular weight of 299.33 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzylamino)-2-oxoethyl] 2-phenoxyacetate is sourced from PubChem (CID 2122413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).