N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

C17H17NO4 — CID 2788370

IUPACN-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C17H17NO4/c1-2-20-13-8-4-3-7-12(13)18-17(19)16-11-21-14-9-5-6-10-15(14)22-16/h3-10,16H,2,11H2,1H3,(H,18,19)
InChIKeyXJRXUQAPJREHOO-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.86
Rot. Bonds4

About N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide

N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (PubChem CID 2788370) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
PubChem CID2788370
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC NameN-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
SMILESCCOc1ccccc1NC(=O)C1COc2ccccc2O1
InChIInChI=1S/C17H17NO4/c1-2-20-13-8-4-3-7-12(13)18-17(19)16-11-21-14-9-5-6-10-15(14)22-16/h3-10,16H,2,11H2,1H3,(H,18,19)
InChIKeyXJRXUQAPJREHOO-UHFFFAOYSA-N
XLogP2.86
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide (CID 2788370) is N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is CCOc1ccccc1NC(=O)C1COc2ccccc2O1.
What is the InChIKey of N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
The InChIKey is XJRXUQAPJREHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-20-13-8-4-3-7-12(13)18-17(19)16-11-21-14-9-5-6-10-15(14)22-16/h3-10,16H,2,11H2,1H3,(H,18,19).
What are the key properties of N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide?
N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide is sourced from PubChem (CID 2788370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).