Basic information
- Standard SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)Oc1ccccc1NC(=O)CCNC(=O)C1OC(C)(C)OCC1(C)C- InChIKey
CCULICNJPDJOPU-YPKPFQOOSA-N- Molecular formula
- C36H58N2O6
- Average molar mass
- 614.9 g/mol
- Monoisotopic mass
- 614.42948757
Names & identifiers
- Preferred name
- N-[2-(Oleoyloxy)phenyl]-3-[N-(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanamide
- IUPAC
- [2-[3-[(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanoylamino]phenyl] (Z)-octadec-9-enoate
Names & synonyms
SCHEMBL9207602CCULICNJPDJOPU-YPKPFQOOSA-NN-[2-(Oleoyloxy)phenyl]-3-[N-(2,2,5,5-tetramethyl-1,3-dioxane-4-carbonyl)amino]propanamide
Database identifiers
- PubChem CID
- 67794716
Properties
Computed structural properties
- XLogP
- 9
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 22
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 871
Related reactions
1 records
Compound notes
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