[2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

C19H17NO6 — CID 2357038

IUPAC[2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESO=C(COC(=O)C1=COCCO1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H17NO6/c21-18(13-25-19(22)17-12-23-10-11-24-17)20-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12H,10-11,13H2,(H,20,21)
InChIKeyUBARDIJVHKFTIZ-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.85
Rot. Bonds6

About [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate

[2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (PubChem CID 2357038) has the molecular formula C19H17NO6 and a molecular weight of 355.35 g/mol. Its IUPAC name is [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
PubChem CID2357038
Molecular FormulaC19H17NO6
Molecular Weight355.35 g/mol
Exact Mass355.11
IUPAC Name[2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
SMILESO=C(COC(=O)C1=COCCO1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C19H17NO6/c21-18(13-25-19(22)17-12-23-10-11-24-17)20-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12H,10-11,13H2,(H,20,21)
InChIKeyUBARDIJVHKFTIZ-UHFFFAOYSA-N
XLogP2.85
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The IUPAC name of [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate (CID 2357038) is [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate.
What is the SMILES notation for [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The canonical SMILES for [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is O=C(COC(=O)C1=COCCO1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
The InChIKey is UBARDIJVHKFTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO6/c21-18(13-25-19(22)17-12-23-10-11-24-17)20-14-6-8-16(9-7-14)26-15-4-2-1-3-5-15/h1-9,12H,10-11,13H2,(H,20,21).
What are the key properties of [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate?
[2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate has a molecular weight of 355.35 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-phenoxyanilino)ethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate is sourced from PubChem (CID 2357038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).