[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

C20H21NO5 — CID 2382784

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c1-2-15-8-10-16(11-9-15)18(22)13-26-20(24)12-21-19(23)14-25-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,21,23)
InChIKeyYYDUMCYPCUKWMM-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.17
Rot. Bonds9

About [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate

[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 2382784) has the molecular formula C20H21NO5 and a molecular weight of 355.39 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID2382784
Molecular FormulaC20H21NO5
Molecular Weight355.39 g/mol
Exact Mass355.14
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2)cc1
InChIInChI=1S/C20H21NO5/c1-2-15-8-10-16(11-9-15)18(22)13-26-20(24)12-21-19(23)14-25-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,21,23)
InChIKeyYYDUMCYPCUKWMM-UHFFFAOYSA-N
XLogP2.17
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate (CID 2382784) is [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is CCc1ccc(C(=O)COC(=O)CNC(=O)COc2ccccc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is YYDUMCYPCUKWMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO5/c1-2-15-8-10-16(11-9-15)18(22)13-26-20(24)12-21-19(23)14-25-17-6-4-3-5-7-17/h3-11H,2,12-14H2,1H3,(H,21,23).
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate?
[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 355.39 g/mol, XLogP of 2.17, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 2382784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).