Basic information
- Standard SMILES
CNC(=O)C(C(=O)OC)N(C)C(=O)c1ccc(-c2ccc(C#CCO)cc2)cc1- InChIKey
BGOISFWKRRFTEE-UHFFFAOYSA-N- Molecular formula
- C22H22N2O5
- Average molar mass
- 394.4 g/mol
Names & identifiers
- Preferred name
- 4-(3-Hydroxyprop-1-yn-1-yl)-4'-{[1-methoxy-3-(methylamino)-1,3-dioxopropan-2-yl](methyl)carbamoyl}biphenyl
- IUPAC
- methyl 2-[[4-[4-(3-hydroxyprop-1-ynyl)phenyl]benzoyl]-methylamino]-3-(methylamino)-3-oxopropanoate
Names & synonyms
SCHEMBL14714668BGOISFWKRRFTEE-UHFFFAOYSA-N4-(3-hydroxyprop-1-yn-1-yl)-4'-{[1-methoxy-3-(methylamino)-1,3-dioxopropan-2-yl](methyl)carbamoyl}biphenyl
Database identifiers
- PubChem CID
- 71268167
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 649
Related reactions
1 records
Compound notes
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