1-Octadecyl-3-[12-(octadecylcarbamoylamino)dodecyl]urea
Basic information
- CAS
92509-63-2- Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=O)NCCCCCCCCCCCCNC(=O)NCCCCCCCCCCCCCCCCCC- InChIKey
UBVVDBHCMOSHBM-UHFFFAOYSA-N- Molecular formula
- C50H102N4O2
- Average molar mass
- 791.4 g/mol
- Monoisotopic mass
- 790.80027851
Names & identifiers
- Preferred name
- 1-Octadecyl-3-[12-(octadecylcarbamoylamino)dodecyl]urea
- IUPAC
- 1-octadecyl-3-[12-(octadecylcarbamoylamino)dodecyl]urea
Names & synonyms
92509-63-2SCHEMBL14984054DTXSID10628754N,N'-Dodecane-1,12-diylbis(N'-octadecylurea)
Database identifiers
- CAS
92509-63-2- PubChem CID
- 22889502
- DTXSID
DTXSID10628754
Properties
Computed structural properties
- XLogP
- 20.9
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 47
- Heavy atoms
- 56
- Formal charge
- 0
- Complexity
- 701
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Compound notes
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