N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide

C19H19NO6 — CID 170504638

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCOC2)oc(=O)c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19NO6/c1-11-8-15(12-4-5-23-10-12)26-19(22)17(11)18(21)20-13-2-3-14-16(9-13)25-7-6-24-14/h2-3,8-9,12H,4-7,10H2,1H3,(H,20,21)
InChIKeyFCGPXIGJSAGJJF-UHFFFAOYSA-N
MW357.36 g/mol
LogP2.48
Rot. Bonds3

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide (PubChem CID 170504638) has the molecular formula C19H19NO6 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
PubChem CID170504638
Molecular FormulaC19H19NO6
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide
SMILESCc1cc(C2CCOC2)oc(=O)c1C(=O)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C19H19NO6/c1-11-8-15(12-4-5-23-10-12)26-19(22)17(11)18(21)20-13-2-3-14-16(9-13)25-7-6-24-14/h2-3,8-9,12H,4-7,10H2,1H3,(H,20,21)
InChIKeyFCGPXIGJSAGJJF-UHFFFAOYSA-N
XLogP2.48
TPSA87.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide (CID 170504638) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide is Cc1cc(C2CCOC2)oc(=O)c1C(=O)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
The InChIKey is FCGPXIGJSAGJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6/c1-11-8-15(12-4-5-23-10-12)26-19(22)17(11)18(21)20-13-2-3-14-16(9-13)25-7-6-24-14/h2-3,8-9,12H,4-7,10H2,1H3,(H,20,21).
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-oxo-6-(oxolan-3-yl)pyran-3-carboxamide is sourced from PubChem (CID 170504638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).