Basic information
- CAS
25517-22-0- Standard SMILES
Cl.O=C(CCN1CCOCC1)NC12CC3CC(CC(C3)C1)C2- InChIKey
WTVAPAFUTQJKBO-UHFFFAOYSA-N- Molecular formula
- C17H29ClN2O2
- Average molar mass
- 328.9 g/mol
- Monoisotopic mass
- 328.1917559
Names & identifiers
- Preferred name
- 4-Morpholinepropionamide, N-1-adamantyl-, monohydrochloride
- IUPAC
- N-(1-adamantyl)-3-morpholin-4-ylpropanamide;hydrochloride
Names & synonyms
4-Morpholinepropionamide, N-1-adamantyl-, monohydrochloride25517-22-0N-1-Adamantyl-4-morpholinepropionamide monohydrochlorideT 2254DTXSID80180213RefChem:294936DTXCID90102704N-(1-adamantyl)-3-morpholin-4-ylpropanamide;hydrochlorideCambridge id 5352803MLS001163759CHEMBL1372235CCG-7087
Show more names
AKOS030507174SMR000539145BIM-0018851.P001SR-01000400489SR-01000400489-1N-((3s,5s,7s)-adamantan-1-yl)-3-morpholinopropanamide hydrochlorideN-(Adamantan-1-yl)-3-(morpholin-4-yl)propanamide--hydrogen chloride (1/1)
Database identifiers
- CAS
25517-22-0- PubChem CID
- 64233
- DTXSID
DTXSID80180213- ChEMBL
CHEMBL1372235
Properties
Computed structural properties
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 362
Experimental & physicochemical properties
Solubility48.9 [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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