[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate

C20H23NO5 — CID 2359743

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO5/c1-24-17-9-8-16(12-18(17)25-2)13-20(23)26-14-19(22)21-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyXHUDYAAVJFHORW-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.15
Rot. Bonds9

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate (PubChem CID 2359743) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
PubChem CID2359743
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate
SMILESCOc1ccc(CC(=O)OCC(=O)NCCc2ccccc2)cc1OC
InChIInChI=1S/C20H23NO5/c1-24-17-9-8-16(12-18(17)25-2)13-20(23)26-14-19(22)21-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22)
InChIKeyXHUDYAAVJFHORW-UHFFFAOYSA-N
XLogP2.15
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate (CID 2359743) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate is COc1ccc(CC(=O)OCC(=O)NCCc2ccccc2)cc1OC.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate?
The InChIKey is XHUDYAAVJFHORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-24-17-9-8-16(12-18(17)25-2)13-20(23)26-14-19(22)21-11-10-15-6-4-3-5-7-15/h3-9,12H,10-11,13-14H2,1-2H3,(H,21,22).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate has a molecular weight of 357.41 g/mol, XLogP of 2.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-phenylethylamino)ethyl] 2-(3,4-dimethoxyphenyl)acetate is sourced from PubChem (CID 2359743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).