Basic information
- Standard SMILES
CCCCCCCCCCCCN(C)CCOc1ccc(CCC(=O)O)c(OC)c1- InChIKey
WLUSDOFFBRJXGW-UHFFFAOYSA-N- Molecular formula
- C25H43NO4
- Average molar mass
- 421.6 g/mol
Names & identifiers
- Preferred name
- 3-[4-[2-[Dodecyl(methyl)amino]ethoxy]-2-methoxyphenyl]propanoic acid
- IUPAC
- 3-[4-[2-[dodecyl(methyl)amino]ethoxy]-2-methoxyphenyl]propanoic acid
Names & synonyms
SCHEMBL7626851
Database identifiers
- PubChem CID
- 18319010
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 418
Related reactions
2 records
Compound notes
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