[2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

C19H19NO6 — CID 2580339

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H19NO6/c1-2-23-15-6-4-14(5-7-15)20-18(21)12-26-19(22)13-3-8-16-17(11-13)25-10-9-24-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,21)
InChIKeyBAHNEOONBORWPS-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.65
Rot. Bonds6

About [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

[2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate (PubChem CID 2580339) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
PubChem CID2580339
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C19H19NO6/c1-2-23-15-6-4-14(5-7-15)20-18(21)12-26-19(22)13-3-8-16-17(11-13)25-10-9-24-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,21)
InChIKeyBAHNEOONBORWPS-UHFFFAOYSA-N
XLogP2.65
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate (CID 2580339) is [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate is CCOc1ccc(NC(=O)COC(=O)c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
The InChIKey is BAHNEOONBORWPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-2-23-15-6-4-14(5-7-15)20-18(21)12-26-19(22)13-3-8-16-17(11-13)25-10-9-24-16/h3-8,11H,2,9-10,12H2,1H3,(H,20,21).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate?
[2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate has a molecular weight of 357.36 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate is sourced from PubChem (CID 2580339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).