2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide

C20H19NO6 — CID 46949162

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)OC2c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H19NO6/c1-24-14-5-3-13(4-6-14)21-20(23)15-11-18(22)27-19(15)12-2-7-16-17(10-12)26-9-8-25-16/h2-7,10,15,19H,8-9,11H2,1H3,(H,21,23)
InChIKeyMDVUWYKZQSMIOL-UHFFFAOYSA-N
MW369.37 g/mol
LogP2.71
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide (PubChem CID 46949162) has the molecular formula C20H19NO6 and a molecular weight of 369.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
PubChem CID46949162
Molecular FormulaC20H19NO6
Molecular Weight369.37 g/mol
Exact Mass369.12
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CC(=O)OC2c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H19NO6/c1-24-14-5-3-13(4-6-14)21-20(23)15-11-18(22)27-19(15)12-2-7-16-17(10-12)26-9-8-25-16/h2-7,10,15,19H,8-9,11H2,1H3,(H,21,23)
InChIKeyMDVUWYKZQSMIOL-UHFFFAOYSA-N
XLogP2.71
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.37
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide (CID 46949162) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide is COc1ccc(NC(=O)C2CC(=O)OC2c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide?
The InChIKey is MDVUWYKZQSMIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO6/c1-24-14-5-3-13(4-6-14)21-20(23)15-11-18(22)27-19(15)12-2-7-16-17(10-12)26-9-8-25-16/h2-7,10,15,19H,8-9,11H2,1H3,(H,21,23).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide has a molecular weight of 369.37 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-5-oxooxolane-3-carboxamide is sourced from PubChem (CID 46949162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).