[1-(2-acetamidopropanoylamino)-1-(2,2-dimethyl-6-oxo-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl)propan-2-yl] acetate
Basic information
- CAS
18802-20-5- Standard SMILES
CC(=O)NC(C)C(=O)NC(C(C)OC(C)=O)C1CC(=O)CC2OC(C)(C)OC21- InChIKey
BCJKXPMRFNYWDK-UHFFFAOYSA-N- Molecular formula
- C19H30N2O7
- Average molar mass
- 398.5 g/mol
- Monoisotopic mass
- 398.2053013
Names & identifiers
- Preferred name
- [1-(2-acetamidopropanoylamino)-1-(2,2-dimethyl-6-oxo-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl)propan-2-yl] acetate
- IUPAC
- [1-(2-acetamidopropanoylamino)-1-(2,2-dimethyl-6-oxo-4,5,7,7a-tetrahydro-3aH-1,3-benzodioxol-4-yl)propan-2-yl] acetate
Names & synonyms
18802-20-5NSC150055DTXSID60940291NSC-150055N-[2-(Acetyloxy)-1-(2,2-dimethyl-6-oxohexahydro-2H-1,3-benzodioxol-4-yl)propyl]-2-[(1-hydroxyethylidene)amino]propanimidic acid
Database identifiers
- CAS
18802-20-5- PubChem CID
- 288733
- DTXSID
DTXSID60940291
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 648
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Compound notes
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