Basic information
- CAS
851116-25-1- Standard SMILES
CCCCCC(CCC)NC(=O)Cn1ccc(=O)n(CC(=O)NC2CCCCCCC2)c1=O- InChIKey
FLTMYCAJOBXZPW-UHFFFAOYSA-N- Molecular formula
- C25H42N4O4
- Average molar mass
- 462.6 g/mol
- Monoisotopic mass
- 462.32060583
Names & identifiers
- Preferred name
- N3-Cyclooctyl-2,4-dioxo-N1-(1-propylhexyl)-1,3(2H,4H)-pyrimidinediacetamide
- IUPAC
- 2-[3-[2-(cyclooctylamino)-2-oxoethyl]-2,4-dioxopyrimidin-1-yl]-N-nonan-4-ylacetamide
Names & synonyms
DTXSID401143449AKOS034674536N3-Cyclooctyl-2,4-dioxo-N1-(1-propylhexyl)-1,3(2H,4H)-pyrimidinediacetamide851116-25-12-{3-[2-(Cyclooctylamino)-2-oxoethyl]-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}-N-(nonan-4-yl)acetamide
Database identifiers
- CAS
851116-25-1- PubChem CID
- 4830278
- DTXSID
DTXSID401143449
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 98.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 12
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 686
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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