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

C11H13NO3 — CID 110752776

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H13NO3/c1-8(13)12(2)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7H,5-6H2,1-2H3
InChIKeyQWKBHJDKONAMIP-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.44
Rot. Bonds1

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

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide (PubChem CID 110752776) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
PubChem CID110752776
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
SMILESCC(=O)N(C)c1ccc2c(c1)OCCO2
InChIInChI=1S/C11H13NO3/c1-8(13)12(2)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7H,5-6H2,1-2H3
InChIKeyQWKBHJDKONAMIP-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N'-methyloxamide
CID 115191645
2-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide
CID 28794596
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methyl-3-sulfanylpropanamide
CID 115167712
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,2-dimethylbenzamide
CID 110752792
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(hydroxymethyl)-N-methylbutanamide
CID 115186430
2-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-N-methylacetamide
CID 82496768
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
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylpyridine-3-carboxamide
CID 110752821
N-(1,3-benzodioxol-5-yl)-N,2,2-trimethylpropanamide
CID 110752658

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide (CID 110752776) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide is CC(=O)N(C)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
The InChIKey is QWKBHJDKONAMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-8(13)12(2)9-3-4-10-11(7-9)15-6-5-14-10/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide has a molecular weight of 207.23 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylacetamide is sourced from PubChem (CID 110752776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).