Basic information
- CAS
65749-35-1- Standard SMILES
CCCCN(C(=O)COc1ccc(C(C)(C)CC)cc1C(C)(C)CC)c1ccc(NC(=O)Nc2ccc(C#N)cc2)c(O)c1- InChIKey
CBIYEZHFUKPMGW-UHFFFAOYSA-N- Molecular formula
- C36H46N4O4
- Average molar mass
- 598.8 g/mol
- Monoisotopic mass
- 598.35190596
Names & identifiers
- Preferred name
- 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3-hydroxyphenyl]hexanamide
- IUPAC
- 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-butyl-N-[4-[(4-cyanophenyl)carbamoylamino]-3-hydroxyphenyl]acetamide
Names & synonyms
EINECS 265-906-265749-35-12-(2,4-Bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3-hydroxyphenyl)hexanamideHexanamide, 2-(2,4-bis(1,1-dimethylpropyl)phenoxy)-N-(4-((((4-cyanophenyl)amino)carbonyl)amino)-3-hydroxyphenyl)-2-[2,4-BIS(1,1-DIMETHYLPROPYL)PHENOXY]-N-[4-[[[(4-CYANOPHENYL)AMINO]CARBONYL]AMINO]-3-HYDROXYPHENYL]HEXANAMIDEhexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3-hydroxyphenyl]-RefChem:83907265-906-22-[2,4-bis(2-methylbutan-2-yl)phenoxy]-n-butyl-n-(4-{[(4-cyanophenyl)carbamoyl]amino}-3-hydroxyphenyl)acetamideDTXSID80867178
Database identifiers
- CAS
65749-35-1- PubChem CID
- 103449
- DTXSID
DTXSID80867178- EC Number
- 265-906-2
Properties
Computed structural properties
- XLogP
- 8.6
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 966
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Hexanamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N-[4-[[[(4-cyanophenyl)amino]carbonyl]amino]-3-hydroxyphenyl]-
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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