1,3-Propanediol, 2-ethyl-2-phenyl-, carbamate carbanilate (ester)
Basic information
- CAS
25457-64-1- Standard SMILES
CCC(COC(N)=O)(COC(=O)Nc1ccccc1)c1ccccc1- InChIKey
OTFJMBVZURCIPE-UHFFFAOYSA-N- Molecular formula
- C19H22N2O4
- Average molar mass
- 342.4 g/mol
- Monoisotopic mass
- 342.15795719
Names & identifiers
- Preferred name
- 1,3-Propanediol, 2-ethyl-2-phenyl-, carbamate carbanilate (ester)
- IUPAC
- [2-(carbamoyloxymethyl)-2-phenylbutyl] N-phenylcarbamate
Names & synonyms
25457-64-11,3-Propanediol, 2-ethyl-2-phenyl-, carbamate carbanilate (ester)RefChem:1053053BRN 31074972-Ethyl-2-phenyl-1,3-propanediol carbamate carbanilate (ester)
Database identifiers
- CAS
25457-64-1- PubChem CID
- 213071
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 431
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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