Basic information
- Standard SMILES
CCCCCCN(Cc1ccc2c(c1)C(=O)OC(C)(C)O2)C(=O)c1ccc(C#Cc2ccc(CCCC)cc2)cc1- InChIKey
JOVXFNBYILCIRH-UHFFFAOYSA-N- Molecular formula
- C36H41NO4
- Average molar mass
- 551.7 g/mol
Names & identifiers
- Preferred name
- 4-[(4-butylphenyl)ethynyl]-N-[(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)methyl]-N-hexylbenzamide
- IUPAC
- 4-[2-(4-butylphenyl)ethynyl]-N-[(2,2-dimethyl-4-oxo-1,3-benzodioxin-6-yl)methyl]-N-hexylbenzamide
Names & synonyms
SCHEMBL1811008JOVXFNBYILCIRH-UHFFFAOYSA-N4-[(4-butylphenyl)ethynyl]-N-[(2,2-dimethyl-4-oxo-4H-1,3-benzodioxin-6-yl)methyl]-N-hexylbenzamide
Database identifiers
- PubChem CID
- 11620951
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 13
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 899
Related reactions
2 records
Compound notes
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