Basic information
- CAS
100482-42-6- Standard SMILES
COc1cc(C(=O)OCCN(c2ccccc2)c2ccccc2)cc(OC)c1OC- InChIKey
FWHMUBHONTZAFC-UHFFFAOYSA-N- Molecular formula
- C24H25NO5
- Average molar mass
- 407.5 g/mol
- Monoisotopic mass
- 407.1732729
Names & identifiers
- Preferred name
- Benzoic acid, 3,4,5-trimethoxy-, 2-(diphenylamino)ethyl ester
- IUPAC
- 2-(N-phenylanilino)ethyl 3,4,5-trimethoxybenzoate
Names & synonyms
BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(DIPHENYLAMINO)ETHYL ESTEREthanol, 2-diphenylamino-, 3,4,5-trimethoxybenzoate100482-42-63,4,5-Trimethoxybenzoic acid, ester with 2-diphenylaminoethanolDTXSID40143324RefChem:327002DTXCID90658152-(diphenylamino)ethyl 3,4,5-trimethoxybenzoateNSC97890NSC-97890
Database identifiers
- CAS
100482-42-6- PubChem CID
- 57901
- DTXSID
DTXSID40143324- Nikkaji
- J87.853G
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 472
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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