Basic information
- CAS
120615-86-3- Standard SMILES
O=C(NCc1ccccc1)NC12CC3CC(CC(C3)C1)C2- InChIKey
MPIRFYYPSNNZEV-UHFFFAOYSA-N- Molecular formula
- C18H24N2O
- Average molar mass
- 284.4 g/mol
- Monoisotopic mass
- 284.18886339
Names & identifiers
- Preferred name
- 1-(1-Adamantyl)-3-benzylurea
- IUPAC
- 1-(1-adamantyl)-3-benzylurea
Names & synonyms
120615-86-31-(1-adamantyl)-3-benzylurea1-(ADAMANTAN-1-YL)-3-BENZYLUREACHEMBL15392961-((3s,5s,7s)-adamantan-1-yl)-3-benzylureaF1550-00553-(adamantan-1-yl)-1-benzylureaOprea1_746404MLS0007673983-(1-Adamantyl)-1-benzylureaN-Adamantan-1-yl-N'-benzylurea1-(1-adamantanyl)-3-benzylurea
Show more names
DTXSID801330694HMS2787I03SMSSF-0041537BDBM50445101EBC-13646STK015054AKOS001018733SMR000429729
Database identifiers
- CAS
120615-86-3- PubChem CID
- 3758167
- DTXSID
DTXSID801330694- ChEMBL
CHEMBL1539296
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 359
Experimental & physicochemical properties
Solubility2.6 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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