1(3H)-Isobenzofuranone, 3-((2-butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-
Basic information
- CAS
64179-23-3- Standard SMILES
CCCCC1(C)Oc2ccc(NC3OC(=O)c4ccccc43)cc2O1- InChIKey
QCRPINVELPCAIU-UHFFFAOYSA-N- Molecular formula
- C20H21NO4
- Average molar mass
- 339.4 g/mol
- Monoisotopic mass
- 339.14705815
Names & identifiers
- Preferred name
- 1(3H)-Isobenzofuranone, 3-((2-butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-
- IUPAC
- 3-[(2-butyl-2-methyl-1,3-benzodioxol-5-yl)amino]-3H-2-benzofuran-1-one
Names & synonyms
3-((2-Butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-1(3H)-isobenzofuranone64179-23-31(3H)-Isobenzofuranone, 3-((2-butyl-2-methyl-1,3-benzodioxol-5-yl)amino)-RefChem:211699DTXSID709826873-[(2-Butyl-2-methyl-2H-1,3-benzodioxol-5-yl)amino]-2-benzofuran-1(3H)-one
Database identifiers
- CAS
64179-23-3- PubChem CID
- 3048950
- DTXSID
DTXSID70982687
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 498
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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