Basic information
- Standard SMILES
CCCCN(Cc1ccc(-c2ccccc2C#N)cc1)C(=O)CCC(C)(C)C(=O)OC- InChIKey
CXRNVMOFKWPJOW-UHFFFAOYSA-N- Molecular formula
- C26H32N2O3
- Average molar mass
- 420.5 g/mol
- Monoisotopic mass
- 420.24129289
Names & identifiers
- Preferred name
- 4-methoxycarbonyl-4-methyl-pentanoic acid N-butyl-N-(2'-cyano-biphenyl-4-ylmethyl)-amide
- IUPAC
- methyl 5-[butyl-[[4-(2-cyanophenyl)phenyl]methyl]amino]-2,2-dimethyl-5-oxopentanoate
Names & synonyms
SCHEMBL9429769CXRNVMOFKWPJOW-UHFFFAOYSA-N4-methoxycarbonyl-4-methyl-pentanoic acid N-butyl-N-(2'-cyano-biphenyl-4-ylmethyl)-amide4-methoxycarbonyl-4-methyl-pentanoic acid N-butyl-N-(2'-cyanobiphenyl-4-ylmethyl)-amide
Database identifiers
- PubChem CID
- 53745707
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 628
Related reactions
3 records
Compound notes
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