N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
Basic information
- CAS
851891-54-8- Standard SMILES
CC(C(=O)NCC1CCCCC1)N1CCc2ccccc2C1- InChIKey
KEAOGVOZYAOWOY-UHFFFAOYSA-N- Molecular formula
- C19H28N2O
- Average molar mass
- 300.4 g/mol
- Monoisotopic mass
- 300.22016352
Names & identifiers
- Preferred name
- N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
- IUPAC
- N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamide
Names & synonyms
N-(cyclohexylmethyl)-2-(3,4-dihydro-1H-isoquinolin-2-yl)propanamideMLS001061305CHEMBL1413094DTXSID601330674HMS2672K09AKOS034350890851891-54-8SMR000384977Z44491191N-(Cyclohexylmethyl)-2-(3,4-dihydroisoquinolin-2(1H)-yl)propanamide
Database identifiers
- CAS
851891-54-8- PubChem CID
- 4884496
- DTXSID
DTXSID601330674- ChEMBL
CHEMBL1413094
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 364
Experimental & physicochemical properties
Solubility41.9 [ug/mL] (The mean of the results at pH 7.4)
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Compound notes
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