2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide

C11H14N2O3 — CID 28794596

IUPAC2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14N2O3/c1-13(11(14)7-12)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5,7,12H2,1H3
InChIKeyQEDMRPAGJKPZJI-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.38
Rot. Bonds2

About 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide

2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide (PubChem CID 28794596) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide.

Molecular Properties

Compound Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
PubChem CID28794596
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
SMILESCN(C(=O)CN)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H14N2O3/c1-13(11(14)7-12)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5,7,12H2,1H3
InChIKeyQEDMRPAGJKPZJI-UHFFFAOYSA-N
XLogP0.38
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylacetamide
CID 82496768
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752776
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
CID 115191645
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
2-(4-aminocyclohexyl)oxy-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 167812638
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-(2-methylphenyl)propanamide
CID 110752841
N-(1,3-benzodioxol-5-yl)-2-(dimethylamino)-N-methylacetamide
CID 69228367
N-(1,3-benzodioxol-5-yl)-N-methyl-2-sulfanylacetamide
CID 115167015
2-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 110752851
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylcyclobutane-1-carboxamide
CID 115161388

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
The IUPAC name of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide (CID 28794596) is 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide.
What is the SMILES notation for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
The canonical SMILES for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide is CN(C(=O)CN)c1ccc2c(c1)OCCO2.
What is the InChIKey of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
The InChIKey is QEDMRPAGJKPZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13(11(14)7-12)8-2-3-9-10(6-8)16-5-4-15-9/h2-3,6H,4-5,7,12H2,1H3.
What are the key properties of 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide has a molecular weight of 222.24 g/mol, XLogP of 0.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide is sourced from PubChem (CID 28794596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).