Basic information
- CAS
76298-90-3- Standard SMILES
C=CCc1ccccc1OCC(O)CNC(C)(C)C1CCC(C)(NC(=O)CBr)CC1- InChIKey
GXGOSIPJZRPYAZ-UHFFFAOYSA-N- Molecular formula
- C24H37BrN2O3
- Average molar mass
- 481.5 g/mol
- Monoisotopic mass
- 480.19876
Overview
alprenolol analog; isopropylamino group of alprenolol replaced by 1-bromoacetylamino-8-amino-p-menthane moiety in the 8 position; structure given in first source
Names & identifiers
- Preferred name
- 1-(2-Allylphenoxy)-3-((1-bromoacetylamino-4-menthane-8-yl)amino)-2-propanol
- IUPAC
- 2-bromo-N-[4-[2-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide
Names & synonyms
Br-8-Alpm76298-90-31-(2-Allylphenoxy)-3-((1-bromoacetylamino-p-menthane-8-yl)amino)-2-propanol1-(2-Allylphenoxy)-3-((1-bromoacetylamino-4-menthane-8-yl)amino)-2-propanolAcetamide, 2-bromo-N-(4-(1-((2-hydroxy-3-(2-(2-propenyl)phenoxy)propyl)amino)-1-methylethyl)-1-methylcyclohexyl)-RefChem:907197CHEMBL47370DTXSID30997651BDBM502253682-bromo-N-[4-[2-[[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]amino]propan-2-yl]-1-methylcyclohexyl]acetamide2-Bromo-N-{4-[2-({2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}amino)propan-2-yl]-1-methylcyclohexyl}ethanimidic acidBromo-N-{4-[2-({2-hydroxy-3-[2-(prop-2-en-1-yl)phenoxy]propyl}amino)propan-2-yl]-1-methylcyclohexyl}ethanimidic acid
Database identifiers
- CAS
76298-90-3- PubChem CID
- 10102413
- DTXSID
DTXSID30997651- ChEMBL
CHEMBL47370
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 547
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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