1-Pentyl-1-(2-phenylethyl)-3-(3-pyridin-4-ylpropyl)urea
Basic information
- CAS
379262-98-3- Standard SMILES
CCCCCN(CCc1ccccc1)C(=O)NCCCc1ccncc1- InChIKey
JCSZRHHJHWDKLE-UHFFFAOYSA-N- Molecular formula
- C22H31N3O
- Average molar mass
- 353.5 g/mol
- Monoisotopic mass
- 353.24671262
Names & identifiers
- Preferred name
- 1-Pentyl-1-(2-phenylethyl)-3-(3-pyridin-4-ylpropyl)urea
- IUPAC
- 1-pentyl-1-(2-phenylethyl)-3-(3-pyridin-4-ylpropyl)urea
Names & synonyms
379262-98-3AGN-PC-00D6P8SCHEMBL1678266DTXSID30469868N-Pentyl-N-(2-phenylethyl)-N'-[3-(pyridin-4-yl)propyl]urea
Database identifiers
- CAS
379262-98-3- PubChem CID
- 11638934
- DTXSID
DTXSID30469868
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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