N-[1,1'-Biphenyl]-2-yl-N~2~-[(3,4-dimethoxyphenyl)methyl]alaninamide
Basic information
- CAS
1009582-58-4- Standard SMILES
COc1ccc(CNC(C)C(=O)Nc2ccccc2-c2ccccc2)cc1OC- InChIKey
FNDMLVUBFQYZIH-UHFFFAOYSA-N- Molecular formula
- C24H26N2O3
- Average molar mass
- 390.5 g/mol
- Monoisotopic mass
- 390.1943427
Names & identifiers
- Preferred name
- N-[1,1'-Biphenyl]-2-yl-N~2~-[(3,4-dimethoxyphenyl)methyl]alaninamide
- IUPAC
- 2-[(3,4-dimethoxyphenyl)methylamino]-N-(2-phenylphenyl)propanamide
Names & synonyms
DTXSID0011489801009582-58-4Z44521300N-[1,1'-Biphenyl]-2-yl-N~2~-[(3,4-dimethoxyphenyl)methyl]alaninamideN-[1,1a(2)-Biphenyl]-2-yl-2-[[(3,4-dimethoxyphenyl)methyl]amino]propanamide
Database identifiers
- CAS
1009582-58-4- PubChem CID
- 4877249
- DTXSID
DTXSID001148980
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 59.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 495
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Compound notes
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