2-(benzo[d][1,3]dioxol-5-yl)-N-methoxy-N-methylacetamide
Basic information
- CAS
153277-41-9- Standard SMILES
CON(C)C(=O)Cc1ccc2c(c1)OCO2- InChIKey
ZVCDSMMCVQXTQN-UHFFFAOYSA-N- Molecular formula
- C11H13NO4
- Average molar mass
- 223.22 g/mol
Names & identifiers
- Preferred name
- 2-(benzo[d][1,3]dioxol-5-yl)-N-methoxy-N-methylacetamide
- IUPAC
- 2-(1,3-benzodioxol-5-yl)-N-methoxy-N-methylacetamide
- English name
- 2-(2H-1,3-Benzodioxol-5-yl)-N-methoxy-N-methylacetamide
- Molecular formula
- C11H13NO4
- Molecular weight
- 223.23
Names & synonyms
153277-41-92-(benzo[d][1,3]dioxol-5-yl)-N-methoxy-N-methylacetamide2-(2H-1,3-benzodioxol-5-yl)-N-methoxy-N-methylacetamide2-(1,3-benzodioxol-5-yl)-N-methoxy-N-methylacetamideMFCD25959404N-Methoxy-N-methyl-1,3-benzodioxole-5-acetamide2-(1,3-dioxaindan-5-yl)-N-methoxy-N-methylacetamideZVCDSMMCVQXTQN-UHFFFAOYSA-NSCHEMBL3020572DGA27741AKOS026706096SY156250
Show more names
1,3-Benzodioxole-5-acetamide, N-methoxy-N-methyl-2-(1,3-benzodioxol-5-yl)-N-methoxy-N-methyl acetamide
WS-02327EN300-133305W186132-benzo(1,3)dioxol-5-yl-N-methoxy-N-methylacetamide2-benzo(1,3)dioxol-5-yl-N-methoxy-N-methylacetoamide2-(1,3-benzodioxol-5-yl)-N-methoxy-N-methyl-acetamide2-(benzo[1,3]dioxol-5-yl)-N-methoxy-N-methylacetamideF1903-0256
Database identifiers
- CAS
153277-41-9
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 48 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Physicochemical properties
- Boiling point
- 321.3 · 321.3±52.0 °C(Predicted)
- Density
- 1.259 · 1.259±0.06 g/cm3(Predicted)
- solubility
- soluble in Chloroform, DCM
- form
- Liquid
- color
- Light Yellow
- InChI
- InChI=1S/C11H13NO4/c1-12(14-2)11(13)6-8-3-4-9-10(5-8)16-7-15-9/h3-5H,6-7H2,1-2H3
- InChIKey
- ZVCDSMMCVQXTQN-UHFFFAOYSA-N
- SMILES
- O1C2=CC=C(CC(N(OC)C)=O)C=C2OC1
Chemistry & industry
Applications
UsesN-Methoxy-N-methyl-1,3-benzodioxole-5-acetamide is an intermediate in the synthesis of Methyl Piperonyl Ketone (M326075), a metabolite of 3,4-Methylenedioxyethylamphetamine (MDE) and 3,4-(Methylenedioxy)methamphetamine (MDMA).
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Compound notes
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