Basic information
- Standard SMILES
CCCCCCCCCCCCCCC(O)CNCCN1CCN=CCCC1=O- InChIKey
JUCUZDBHVOEHRT-UHFFFAOYSA-N- Molecular formula
- C24H47N3O2
- Average molar mass
- 409.6 g/mol
Names & identifiers
- Preferred name
- 4-(2-Hydroxyhexadecyl)aminoethyl-2,3,6,7-tetrahydro-1,4-diazocin-5-one
- IUPAC
- 4-[2-(2-hydroxyhexadecylamino)ethyl]-2,3,6,7-tetrahydro-1,4-diazocin-5-one
Names & synonyms
SCHEMBL11264244SCHEMBL11264246JUCUZDBHVOEHRT-UHFFFAOYSA-N4-(2-hydroxyhexadecyl)aminoethyl-2,3,6,7-tetrahydro-1,4-diazocin-5-one
Database identifiers
- PubChem CID
- 53974767
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 64.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 18
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 415
Related reactions
1 records
Compound notes
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