Basic information
- CAS
5338-33-0- Standard SMILES
CCCCCCCCCCCCCCCCCC(=O)Nc1ccc(C)cc1NC(=O)CCCCCCCCCCCCCCCCC- InChIKey
JQBQCPGWKWTXIQ-UHFFFAOYSA-N- Molecular formula
- C43H78N2O2
- Average molar mass
- 655.1 g/mol
- Monoisotopic mass
- 654.60632974
Names & identifiers
- Preferred name
- N,N'-(4-Methyl-1,2-phenylene)dioctadecanimidic acid
- IUPAC
- N-[4-methyl-2-(octadecanoylamino)phenyl]octadecanamide
Names & synonyms
5338-33-0NSC3147SCHEMBL14984048DTXSID70968027NSC-3147N,N'-(4-Methyl-1,2-phenylene)dioctadecanimidic acid
Database identifiers
- CAS
5338-33-0- PubChem CID
- 220413
- DTXSID
DTXSID70968027- Nikkaji
- J1.391.075H
Properties
Computed structural properties
- XLogP
- 17.5
- Topological polar surface area
- 58.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 34
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 695
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…