Basic information
- CAS
57494-87-8- Standard SMILES
CC(C)NCC(O)COc1ccc(C(=O)NC2CCCCC2)cc1- InChIKey
UBABTQSJQBOKDV-UHFFFAOYSA-N- Molecular formula
- C19H30N2O3
- Average molar mass
- 334.5 g/mol
- Monoisotopic mass
- 334.22564282
Names & identifiers
- Preferred name
- Benzamide, N-cyclohexyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-
- IUPAC
- N-cyclohexyl-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzamide
- English name
- N-Cyclohexyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]benzamide
- Molecular formula
- C19H30N2O3
- Molecular weight
- 334.45
Names & synonyms
BRN 287977257494-87-8N-Cyclohexyl-4-(2-hydroxy-3-((1-methylethyl)amino)propoxy)benzamideBENZAMIDE, N-CYCLOHEXYL-4-(2-HYDROXY-3-((1-METHYLETHYL)AMINO)PROPOXY)-N-Cyclohexyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]benzamideRefChem:322490DTXSID40973022N-Cyclohexyl-4-{2-hydroxy-3-[(propan-2-yl)amino]propoxy}benzamideDB-321067Benzamide, N-cyclohexyl-4-[2-hydroxy-3-[(1-methylethyl)amino]propoxy]-
Database identifiers
- CAS
57494-87-8- PubChem CID
- 42380
- DTXSID
DTXSID40973022- Nikkaji
- J68.080J
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 559.4 · 559.4±45.0 °C(Predicted)
- Density
- 1.1 · 1.10±0.1 g/cm3(Predicted)
- pka
- 13.78 · 13.78±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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