Basic information
- Standard SMILES
CCCCCCCCCCCCN(C)CCCOc1ccc(CCC(=O)OC)cc1- InChIKey
MRWRKBIGFTYJKM-UHFFFAOYSA-N- Molecular formula
- C26H45NO3
- Average molar mass
- 419.6 g/mol
- Monoisotopic mass
- 419.3399443
Names & identifiers
- Preferred name
- 3-[4-[3-(N-dodecyl-N-methylamino)propoxy]phenyl]propanoic acid, methyl ester
- IUPAC
- methyl 3-[4-[3-[dodecyl(methyl)amino]propoxy]phenyl]propanoate
Names & synonyms
MRWRKBIGFTYJKM-UHFFFAOYSA-N3-[4-[3-(N-dodecyl-N-methylamino)propoxy]phenyl]propanoic acid, methyl ester
Database identifiers
- PubChem CID
- 86757115
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 38.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 20
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 394
Related reactions
2 records
Compound notes
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