Basic information
- Standard SMILES
CC(=O)NC(Cc1ccccc1)C(O)C1CN(C(=O)CCC(C)C)CCN1C(=O)OC(C)(C)C- InChIKey
VMWWCGGUHFVLTR-UHFFFAOYSA-N- Molecular formula
- C26H41N3O5
- Average molar mass
- 475.6 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-(2-acetamido-1-hydroxy-3-phenylpropyl)-4-(4-methylpentanoyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 2-(2-acetamido-1-hydroxy-3-phenylpropyl)-4-(4-methylpentanoyl)piperazine-1-carboxylate
Names & synonyms
SCHEMBL4369699
Database identifiers
- PubChem CID
- 69019037
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 99.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 684
Related reactions
1 records
Compound notes
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