Basic information
- CAS
105047-50-5- Standard SMILES
COc1cc(CNC(=O)CCCCCCc2ccccc2)ccc1O- InChIKey
ONAHJHLNXUYDHS-UHFFFAOYSA-N- Molecular formula
- C21H27NO3
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.19909372
Names & identifiers
- Preferred name
- Benzeneheptanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-
- IUPAC
- N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-phenylheptanamide
Names & synonyms
Benzeneheptanamide, N-((4-hydroxy-3-methoxyphenyl)methyl)-N-((4-Hydroxy-3-methoxyphenyl)methyl)benzeneheptanamideDTXSID90146926N-[(4-Hydroxy-3-methoxyphenyl)methyl]benzeneheptanamideRefChem:324698DTXCID5069417105047-50-5N-[(4-hydroxy-3-methoxyphenyl)methyl]-7-phenylheptanamideCHEMBL330301SCHEMBL28949337
Database identifiers
- CAS
105047-50-5- PubChem CID
- 3064580
- DTXSID
DTXSID90146926- ChEMBL
CHEMBL330301- Nikkaji
- J572.100H
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 58.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 368
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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