Basic information
- CAS
300544-08-5- Standard SMILES
O=C(NC12CCCC1C1CCC2C1)NC12CCCC1C1CCC2C1- InChIKey
OCLJVESFZXJORW-UHFFFAOYSA-N- Molecular formula
- C21H32N2O
- Average molar mass
- 328.5 g/mol
- Monoisotopic mass
- 328.25146365
Names & identifiers
- Preferred name
- N,N'-Bis(octahydro-4,7-methano-3aH-inden-3a-yl)urea
- IUPAC
- 1,3-bis(2-tricyclo[5.2.1.02,6]decanyl)urea
Names & synonyms
300544-08-5N,N'-Bis(octahydro-4,7-methano-3aH-inden-3a-yl)ureaRefChem:358416N,N'-Ditricyclo[5.2.1.0~2,6~]dec-2-ylureaOprea1_339006CBDivE_014654Urea, N,N'-bis(perhydro-4,7-methanoindan-3a-yl)-CHEMBL4935147OCLJVESFZXJORW-UHFFFAOYSA-NDTXSID201225510AKOS0251506371,3-bis(2-tricyclo[5.2.1.02,6]decanyl)urea
Show more names
SR-01000391312SR-01000391312-1N,N'-Di(octahydro-3aH-4,7-methanoinden-3a-yl)ureaN,Na(2)-Bis(octahydro-4,7-methano-3aH-inden-3a-yl)ureaUrea, N,N'-bis(trycyclo[5.2.1.0(2,6)]decanyl-2')-
Database identifiers
- CAS
300544-08-5- PubChem CID
- 558274
- DTXSID
DTXSID201225510- ChEMBL
CHEMBL4935147
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 41.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 528
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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