Basic information
- CAS
71384-61-7- Standard SMILES
COC(=O)c1cc(NC(=O)CC(=O)C(C)(C)C)cc(C(=O)OC)c1- InChIKey
GGVAOEMIGHFTRH-UHFFFAOYSA-N- Molecular formula
- C17H21NO6
- Average molar mass
- 335.4 g/mol
- Monoisotopic mass
- 335.13688739
Names & identifiers
- Preferred name
- 1,3-Dimethyl 5-[(4,4-dimethyl-1,3-dioxopentyl)amino]-1,3-benzenedicarboxylate
- IUPAC
- dimethyl 5-[(4,4-dimethyl-3-oxopentanoyl)amino]benzene-1,3-dicarboxylate
Names & synonyms
SCHEMBL10490050DTXSID8013858371,3-Dimethyl 5-[(4,4-dimethyl-1,3-dioxopentyl)amino]-1,3-benzenedicarboxylate71384-61-7
Database identifiers
- CAS
71384-61-7- PubChem CID
- 12499178
- DTXSID
DTXSID801385837
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 484
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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