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

C19H19NO6 — CID 4803112

IUPAC[2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)C1COc2ccccc2O1
InChIInChI=1S/C19H19NO6/c1-2-23-14-8-4-3-7-13(14)20-18(21)12-25-19(22)17-11-24-15-9-5-6-10-16(15)26-17/h3-10,17H,2,11-12H2,1H3,(H,20,21)
InChIKeyZQOUNTKAQZRKOM-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.41
Rot. Bonds6

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

[2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate (PubChem CID 4803112) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate.

Molecular Properties

Compound Name[2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
PubChem CID4803112
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC Name[2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate
SMILESCCOc1ccccc1NC(=O)COC(=O)C1COc2ccccc2O1
InChIInChI=1S/C19H19NO6/c1-2-23-14-8-4-3-7-13(14)20-18(21)12-25-19(22)17-11-24-15-9-5-6-10-16(15)26-17/h3-10,17H,2,11-12H2,1H3,(H,20,21)
InChIKeyZQOUNTKAQZRKOM-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate with MolForge

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Related Compounds

N-(3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788350
N-(2-ethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788365
2,3-Dihydro-N-(2-methylphenyl)-1,4-benzodioxin-2-carboxamide
CID 2788358
N-(3,4-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788362
N-(2,5-dimethylphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788363
N-(4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788369
N-(4-nitrophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 2788382
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788370
N-(2-methoxyphenyl)-2-phenoxyacetamide
CID 721262
N-(4-fluorophenyl)-2,3-dihydro-1,4-benzodioxine-2-carboxamide
CID 2788330
2-methyl-2H-1,4-benzoxazin-3(4H)-one
CID 301730
(3-Oxo-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetic acid
CID 2783999

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The IUPAC name of [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate (CID 4803112) is [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate.
What is the SMILES notation for [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The canonical SMILES for [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate is CCOc1ccccc1NC(=O)COC(=O)C1COc2ccccc2O1.
What is the InChIKey of [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
The InChIKey is ZQOUNTKAQZRKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-2-23-14-8-4-3-7-13(14)20-18(21)12-25-19(22)17-11-24-15-9-5-6-10-16(15)26-17/h3-10,17H,2,11-12H2,1H3,(H,20,21).
What are the key properties of [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate?
[2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate has a molecular weight of 357.36 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate is sourced from PubChem (CID 4803112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).