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Basic information
- CAS
60634-68-6- Standard SMILES
COc1cc(C(=O)Nc2ccc(N(C)C)cc2)cc(OC)c1OC- InChIKey
AVFGUWZHRCOPMQ-UHFFFAOYSA-N- Molecular formula
- C18H22N2O4
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.15795719
Names & identifiers
- Preferred name
- 4'-Dimethylamino-3,4,5-trimethoxy benzanilide
- IUPAC
- N-[4-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide
- English name
- 4'-Dimethylamino-3,4,5-trimethoxybenzanilide
- Molecular formula
- C18H22N2O4
- Molecular weight
- 330.38
Names & synonyms
60634-68-6JQW86KK01OBENZANILIDE, 4'-DIMETHYLAMINO-3,4,5-TRIMETHOXY-NSC-1691794'-Dimethylamino-3,4,5-trimethoxy benzanilideDTXSID30209443RefChem:1069035DTXCID50131934MethonalideN-[4-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide4'-Dimethylamino-3,4,5-trimethoxybenzanilideMethonalid
Show more names
Benzamide, N-[4-(dimethylamino)phenyl]-3,4,5-trimethoxy-
NSC169179MLS000107512N-(4-(dimethylamino)phenyl)-3,4,5-trimethoxybenzamideSMR000111878BL-M-188NSC 169179BRN 2774107UNII-JQW86KK01O
Database identifiers
- CAS
60634-68-6- PubChem CID
- 43380
- DTXSID
DTXSID30209443- ChEMBL
CHEMBL1418360- ChEBI
CHEBI:122104- UNII
- JQW86KK01O
- Nikkaji
- J149.209H
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 60 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 154 · 154-155 °C
- Boiling point
- 435.3 · 435.3±45.0 °C(Predicted)
- Density
- 1.187 · 1.187±0.06 g/cm3(Predicted)
- pka
- 12.46 · 12.46±0.70(Predicted)
- FDA UNII
- 86 KK01O · JQW86KK01O
Chemistry & industry
Additional notes
DefinitionChEBI: N-[4-(dimethylamino)phenyl]-3,4,5-trimethoxybenzamide is a member of benzamides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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