Basic information
- CAS
47749-96-2- Standard SMILES
Cc1ccc(C(=O)Oc2ccc(C(=O)CNC(C)(C)C)cc2OC(=O)c2ccc(C)cc2)cc1- InChIKey
BKHHMEFQCZTOSJ-UHFFFAOYSA-N- Molecular formula
- C28H29NO5
- Average molar mass
- 459.5 g/mol
- Monoisotopic mass
- 459.20457303
Names & identifiers
- Preferred name
- 4-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluate
- IUPAC
- [4-[2-(tert-butylamino)acetyl]-2-(4-methylbenzoyl)oxyphenyl] 4-methylbenzoate
- English name
- 4-[[(1,1-dimethylethyl)amino]acetyl]-1,2-phenylene di-p-toluate
- Molecular formula
- C28H29NO5
- Molecular weight
- 459.53356
Names & synonyms
47749-96-2EINECS 256-333-94-(((1,1-Dimethylethyl)amino)acetyl)-1,2-phenylene di-p-toluateSCHEMBL11281887DTXSID00197267BKHHMEFQCZTOSJ-UHFFFAOYSA-NNS000317224-(N-tert-Butylglycyl)-1,2-phenylene bis(4-methylbenzoate)4-[[(1,1-dimethylethyl)amino]acetyl]-1,2-phenylene di-p-toluate
Database identifiers
- CAS
47749-96-2- PubChem CID
- 6452097
- DTXSID
DTXSID00197267- EC Number
- 256-333-9
- Nikkaji
- J312.635H
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 698
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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