N-(2-Hydroxyethyl)pentacosa-10,12-diynamide
Basic information
- CAS
137870-33-8- Standard SMILES
CCCCCCCCCCCCC#CC#CCCCCCCCCC(=O)NCCO- InChIKey
KMKKLXMLBOQSCV-UHFFFAOYSA-N- Molecular formula
- C27H47NO2
- Average molar mass
- 417.7 g/mol
- Monoisotopic mass
- 417.36067974
Names & identifiers
- Preferred name
- N-(2-Hydroxyethyl)pentacosa-10,12-diynamide
- IUPAC
- N-(2-hydroxyethyl)pentacosa-10,12-diynamide
Names & synonyms
137870-33-8CHEMBL7864N-(2-HYDROXYETHYL)PENTACOSA-10,12-DIYNAMIDESCHEMBL3861353DTXSID60658086BDBM50050960Pentacosa-10,12-diynoic acid (2-hydroxy-ethyl)-amide
Database identifiers
- CAS
137870-33-8- PubChem CID
- 44264802
- DTXSID
DTXSID60658086- ChEMBL
CHEMBL7864- Nikkaji
- J1.410.214K
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 21
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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