Basic information
- CAS
111399-16-7- Standard SMILES
CCCCC(=O)N(CC(O)COc1cccc2ccccc12)C(C)C- InChIKey
HRNVFJVOWMQWAB-UHFFFAOYSA-N- Molecular formula
- C21H29NO3
- Average molar mass
- 343.5 g/mol
- Monoisotopic mass
- 343.21474379
Names & identifiers
- Preferred name
- N-Valeroylpropranolol
- IUPAC
- N-(2-hydroxy-3-naphthalen-1-yloxypropyl)-N-propan-2-ylpentanamide
Names & synonyms
111399-16-7N-ValeroylpropranololDTXSID30912142N-{2-Hydroxy-3-[(naphthalen-1-yl)oxy]propyl}-N-(propan-2-yl)pentanamidePentanamide, N-(2-hydroxy-3-(1-naphthalenyloxy)propyl)-N-(1-methylethyl)-
Database identifiers
- CAS
111399-16-7- PubChem CID
- 183306
- DTXSID
DTXSID30912142
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 399
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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