N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide

C11H12N2O4 — CID 115191645

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
SMILESCN(C(=O)C(N)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H12N2O4/c1-13(11(15)10(12)14)7-2-3-8-9(6-7)17-5-4-16-8/h2-3,6H,4-5H2,1H3,(H2,12,14)
InChIKeyGZXAJUYSDGHGOZ-UHFFFAOYSA-N
MW236.23 g/mol
LogP-0.09
Rot. Bonds1

About N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide (PubChem CID 115191645) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
PubChem CID115191645
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
SMILESCN(C(=O)C(N)=O)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H12N2O4/c1-13(11(15)10(12)14)7-2-3-8-9(6-7)17-5-4-16-8/h2-3,6H,4-5H2,1H3,(H2,12,14)
InChIKeyGZXAJUYSDGHGOZ-UHFFFAOYSA-N
XLogP-0.09
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide
CID 115161388
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylacetamide
CID 82496768
N-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-2-oxopropanamide
CID 115175533
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N,2-dimethylbenzamide
CID 110752792
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186430
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methyl-2-sulfanylacetamide
CID 115167016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-phenylpropanamide
CID 110752814
N-methyl-N-oxido-2,3-dihydro-1,4-benzodioxin-6-amine
CID 163777810
2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 167812638

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide (CID 115191645) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide is CN(C(=O)C(N)=O)c1ccc2c(c1)OCCO2.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide?
The InChIKey is GZXAJUYSDGHGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-13(11(15)10(12)14)7-2-3-8-9(6-7)17-5-4-16-8/h2-3,6H,4-5H2,1H3,(H2,12,14).
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide has a molecular weight of 236.23 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide is sourced from PubChem (CID 115191645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).