[2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate

C20H17NO5 — CID 4086904

IUPAC[2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate
SMILESCC(NC(=O)COC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1
InChIInChI=1S/C20H17NO5/c1-13(14-7-3-2-4-8-14)21-19(23)12-25-20(24)18-11-16(22)15-9-5-6-10-17(15)26-18/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyFMCWHQVTGVHHCA-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.83
Rot. Bonds5

About [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate

[2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate (PubChem CID 4086904) has the molecular formula C20H17NO5 and a molecular weight of 351.36 g/mol. Its IUPAC name is [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate
PubChem CID4086904
Molecular FormulaC20H17NO5
Molecular Weight351.36 g/mol
Exact Mass351.11
IUPAC Name[2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate
SMILESCC(NC(=O)COC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1
InChIInChI=1S/C20H17NO5/c1-13(14-7-3-2-4-8-14)21-19(23)12-25-20(24)18-11-16(22)15-9-5-6-10-17(15)26-18/h2-11,13H,12H2,1H3,(H,21,23)
InChIKeyFMCWHQVTGVHHCA-UHFFFAOYSA-N
XLogP2.83
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate?
The IUPAC name of [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate (CID 4086904) is [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate.
What is the SMILES notation for [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate?
The canonical SMILES for [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate is CC(NC(=O)COC(=O)c1cc(=O)c2ccccc2o1)c1ccccc1.
What is the InChIKey of [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate?
The InChIKey is FMCWHQVTGVHHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO5/c1-13(14-7-3-2-4-8-14)21-19(23)12-25-20(24)18-11-16(22)15-9-5-6-10-17(15)26-18/h2-11,13H,12H2,1H3,(H,21,23).
What are the key properties of [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate?
[2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate has a molecular weight of 351.36 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(1-phenylethylamino)ethyl] 4-oxochromene-2-carboxylate is sourced from PubChem (CID 4086904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).