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

C20H21NO4 — CID 2065705

IUPAC[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-2-15-8-10-17(11-9-15)18(22)14-25-20(24)13-21-19(23)12-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23)
InChIKeyAUDUQIIKWGPMSB-UHFFFAOYSA-N
MW339.39 g/mol
LogP2.33
Rot. Bonds8

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

[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (PubChem CID 2065705) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.

Molecular Properties

Compound Name[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
PubChem CID2065705
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
SMILESCCc1ccc(C(=O)COC(=O)CNC(=O)Cc2ccccc2)cc1
InChIInChI=1S/C20H21NO4/c1-2-15-8-10-17(11-9-15)18(22)14-25-20(24)13-21-19(23)12-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23)
InChIKeyAUDUQIIKWGPMSB-UHFFFAOYSA-N
XLogP2.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The IUPAC name of [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate (CID 2065705) is [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate.
What is the SMILES notation for [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The canonical SMILES for [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is CCc1ccc(C(=O)COC(=O)CNC(=O)Cc2ccccc2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
The InChIKey is AUDUQIIKWGPMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4/c1-2-15-8-10-17(11-9-15)18(22)14-25-20(24)13-21-19(23)12-16-6-4-3-5-7-16/h3-11H,2,12-14H2,1H3,(H,21,23).
What are the key properties of [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate?
[2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate has a molecular weight of 339.39 g/mol, XLogP of 2.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate is sourced from PubChem (CID 2065705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).