Basic information
- Standard SMILES
CC(C)(C)OC(=O)NCCCCc1ccc(OCC#N)cc1- InChIKey
ZUSVQGCNAVVCRV-UHFFFAOYSA-N- Molecular formula
- C17H24N2O3
- Average molar mass
- 304.4 g/mol
Names & identifiers
- Preferred name
- [4-(4-Cyanomethoxyphenyl)butyl]carbamic acid tert-butyl ester
- IUPAC
- tert-butyl N-[4-[4-(cyanomethoxy)phenyl]butyl]carbamate
Names & synonyms
SCHEMBL915526ZUSVQGCNAVVCRV-UHFFFAOYSA-NDB-173412Tert-butyl (4-(4-(cyanomethoxy)phenyl)butyl)carbamate[4-(4-Cyanomethoxyphenyl)butyl]carbamic acid tert-butyl ester847201-18-7
Database identifiers
- PubChem CID
- 21031133
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 373
Related reactions
18 records
Compound notes
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