1-(4-Methoxyphenyl)-3-octadecylurea
Basic information
- CAS
4128-42-1- Standard SMILES
CCCCCCCCCCCCCCCCCCNC(=O)Nc1ccc(OC)cc1- InChIKey
XBAHFVAWFJVCJV-UHFFFAOYSA-N- Molecular formula
- C26H46N2O2
- Average molar mass
- 418.7 g/mol
- Monoisotopic mass
- 418.35592871
Names & identifiers
- Preferred name
- 1-(4-Methoxyphenyl)-3-octadecylurea
- IUPAC
- 1-(4-methoxyphenyl)-3-octadecylurea
- English name
- 1-(p-Anisyl)-3-octadecylurea
- Molecular formula
- C26H46N2O2
- Molecular weight
- 418.66
Names & synonyms
1-(4-methoxyphenyl)-3-octadecylurea4128-42-1DTXSID30307473RefChem:225356DTXCID00258600NSC191538AKOS002819044N-(4-Methoxyphenyl)-N'-octadecylurea1-(P-ANISYL)-3-OCTADECYLUREANSC-191538Urea, N-(4-methoxyphenyl)-N'-octadecyl-
Database identifiers
- CAS
4128-42-1- PubChem CID
- 303397
- DTXSID
DTXSID30307473
Properties
Computed structural properties
- XLogP
- 9.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 19
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 381
Physicochemical properties
- Boiling point
- 517 · 517.0±42.0 °C(Predicted)
- Density
- 0.96 · 0.960±0.06 g/cm3(Predicted)
- pka
- 14.1 · 14.10±0.46(Predicted)
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Compound notes
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