[2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate

C18H20N2O4 — CID 2575709

IUPAC[2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H20N2O4/c1-2-23-17-15(9-6-11-20-17)18(22)24-13-16(21)19-12-10-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3,(H,19,21)
InChIKeyJYNKSLJMDJXLCZ-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.00
Rot. Bonds8

About [2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate

[2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2575709) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is [2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2575709
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name[2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NCCc1ccccc1
InChIInChI=1S/C18H20N2O4/c1-2-23-17-15(9-6-11-20-17)18(22)24-13-16(21)19-12-10-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3,(H,19,21)
InChIKeyJYNKSLJMDJXLCZ-UHFFFAOYSA-N
XLogP2.00
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.00
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-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate (CID 2575709) is [2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)NCCc1ccccc1.
What is the InChIKey of [2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is JYNKSLJMDJXLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-2-23-17-15(9-6-11-20-17)18(22)24-13-16(21)19-12-10-14-7-4-3-5-8-14/h3-9,11H,2,10,12-13H2,1H3,(H,19,21).
What are the key properties of [2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate?
[2-oxo-2-(2-phenylethylamino)ethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 328.37 g/mol, XLogP of 2.00, 8 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-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2575709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).