Basic information
- Standard SMILES
CCCCCCCCCCCc1noc(-c2ccc(CNCc3ccccc3OC)cc2)n1- InChIKey
DZSBWVFOYSFHDQ-UHFFFAOYSA-N- Molecular formula
- C28H39N3O2
- Average molar mass
- 449.6 g/mol
- Monoisotopic mass
- 449.3042275
Names & identifiers
- Preferred name
- N-(2-methoxybenzyl)-N-[4-(3-undecyl-1,2,4-oxadiazol-5-yl)benzyl]amine
- IUPAC
- N-[(2-methoxyphenyl)methyl]-1-[4-(3-undecyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
Names & synonyms
SCHEMBL1853005SCHEMBL6022341DZSBWVFOYSFHDQ-UHFFFAOYSA-NN-(2-methoxybenzyl)-N-[4-(3-undecyl-1,2,4-oxadiazol-5-yl)benzyl]amine
Database identifiers
- PubChem CID
- 67186540
Properties
Computed structural properties
- XLogP
- 8.2
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 16
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 484
Related reactions
2 records
Compound notes
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