Basic information
- Standard SMILES
CCC(NC(=O)OC(C)(C)C)C(=O)NC(C)COc1ccc(C#N)cc1- InChIKey
MSMSJTFPXUURJG-UHFFFAOYSA-N- Molecular formula
- C19H27N3O4
- Average molar mass
- 361.4 g/mol
- Monoisotopic mass
- 361.20015635
Names & identifiers
- IUPAC
- tert-butyl N-[1-[1-(4-cyanophenoxy)propan-2-ylamino]-1-oxobutan-2-yl]carbamate
Database identifiers
- PubChem CID
- 18972814
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 513
Related reactions
1 records
Compound notes
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