Basic information
- Standard SMILES
CN(C)CC(CC(=O)OCc1ccccc1)NC(=O)CCCCCCCCc1cccnc1- InChIKey
XGDDWIZDIYNMSV-UHFFFAOYSA-N- Molecular formula
- C27H39N3O3
- Average molar mass
- 453.6 g/mol
- Monoisotopic mass
- 453.29914211
Names & identifiers
- Preferred name
- Benzyl 4-(dimethylamino)-3-(9-pyridin-3-ylnonanoylamino)butanoate
- IUPAC
- benzyl 4-(dimethylamino)-3-(9-pyridin-3-ylnonanoylamino)butanoate
Names & synonyms
SCHEMBL1007463
Database identifiers
- PubChem CID
- 66874804
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 17
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 535
Related reactions
1 records
Compound notes
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