Basic information
- Standard SMILES
CNC(=O)c1ccc(OCC(O)CNC(C)COc2ccc(O)c(C(N)=O)c2)cc1- InChIKey
RMLJWRZOUUCXEU-UHFFFAOYSA-N- Molecular formula
- C21H27N3O6
- Average molar mass
- 417.5 g/mol
Names & identifiers
- Preferred name
- 1-[2-(3-Carbamoyl-4-hydroxyphenoxy)-1-methylethylamino]-3-(4-methylcarbamoylphenoxy)propan-2-ol
- IUPAC
- 2-hydroxy-5-[2-[[2-hydroxy-3-[4-(methylcarbamoyl)phenoxy]propyl]amino]propoxy]benzamide
Names & synonyms
SCHEMBL10713788RMLJWRZOUUCXEU-UHFFFAOYSA-N1-[2-(3-Carbamoyl-4-hydroxyphenoxy)-1-methylethylamino]-3-(4-methylcarbamoylphenoxy)propan-2-ol
Database identifiers
- PubChem CID
- 13754366
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 143 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 11
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 541
Related reactions
4 records
Compound notes
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