Basic information
- Standard SMILES
CC(=O)c1c(OCCCCNC(=O)OC(C)(C)C)cccc1OCc1ccccc1- InChIKey
PRSMRAGAPIOYIA-UHFFFAOYSA-N- Molecular formula
- C24H31NO5
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.22022309
Names & identifiers
- Preferred name
- [4-(2-Acetyl-3-benzyloxyphenoxy)-butyl]-carbamic Acid Tert-butyl Ester
- IUPAC
- tert-butyl N-[4-(2-acetyl-3-phenylmethoxyphenoxy)butyl]carbamate
Names & synonyms
SCHEMBL3922652PRSMRAGAPIOYIA-UHFFFAOYSA-N[4-(2-Acetyl-3-benzyloxyphenoxy)-butyl]-carbamic Acid Tert-butyl Ester
Database identifiers
- PubChem CID
- 68840692
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 73.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 12
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 524
Related reactions
2 records
Compound notes
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