E-5050
Basic information
- CAS
121808-24-0- Standard SMILES
CC(C)CCCC(C)Cc1ccc(C(C)CC(=O)NCCO)cc1- InChIKey
SRKIBXBMSGIQFP-UHFFFAOYSA-N- Molecular formula
- C21H35NO2
- Average molar mass
- 333.5 g/mol
- Monoisotopic mass
- 333.26677936
Names & identifiers
- Preferred name
- E-5050
- IUPAC
- 3-[4-(2,6-dimethylheptyl)phenyl]-N-(2-hydroxyethyl)butanamide
- English name
- N-(3-(4'-(2'',6''-dimethylheptyl)phenyl)butanoyl)ethanolamine
- Molecular formula
- C21H35NO2
- Molecular weight
- 333.5081
Names & synonyms
E-5050E 5050RefChem:161872121808-24-0E5050N-(3-(4'-(2'',6''-Dimethylheptyl)phenyl)butanoyl)ethanolamineSCHEMBL9546047DTXSID60923968e 50-50-3-[4-(2,6-Dimethylheptyl)phenyl]-N-(2-hydroxyethyl)butanimidic acidBenzenepropanamide, 4-(2,6-dimethylheptyl)-N-(2-hydroxyethyl)-beta-methyl-
Database identifiers
- CAS
121808-24-0- PubChem CID
- 129506
- DTXSID
DTXSID60923968- Nikkaji
- J399.066D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 335
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…