2-Ethyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate
Basic information
- CAS
22961-83-7- Standard SMILES
CCC1(C)Oc2cccc(OC(=O)N(C)C(C)=O)c2O1- InChIKey
YNGLPKKOWRUTDJ-UHFFFAOYSA-N- Molecular formula
- C14H17NO5
- Average molar mass
- 279.29 g/mol
- Monoisotopic mass
- 279.11067264
Names & identifiers
- Preferred name
- 2-Ethyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamate
- IUPAC
- (2-ethyl-2-methyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate
Names & synonyms
22961-83-7DTXSID909456532-Ethyl-2-methyl-2H-1,3-benzodioxol-4-yl acetyl(methyl)carbamateRefChem:1063025DTXCID601373965Acetylmethylcarbamic acid 2-ethyl-2-methyl-1,3-benzodioxol-4-yl esterCarbamic acid, acetylmethyl-, 2-ethyl-2-methyl-1,3-benzodioxol-4-yl ester
Database identifiers
- CAS
22961-83-7- PubChem CID
- 211387
- DTXSID
DTXSID90945653
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 65.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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