N-(pivaloyloxy)phenacetin
Basic information
- CAS
102725-57-5- Standard SMILES
CCOc1ccc(N(OC(=O)C(C)(C)C)C(C)=O)cc1- InChIKey
MPNGGGGXPLRSTK-UHFFFAOYSA-N- Molecular formula
- C15H21NO4
- Average molar mass
- 279.33 g/mol
- Monoisotopic mass
- 279.14705815
Overview
phenacetin metabolite; RN given from first source; structure given in first source
Names & identifiers
- Preferred name
- N-(pivaloyloxy)phenacetin
- IUPAC
- (N-acetyl-4-ethoxyanilino) 2,2-dimethylpropanoate
- English name
- N-(pivaloyloxy)phenacetin
- Molecular formula
- C15H21NO4
- Molecular weight
- 279.33
Names & synonyms
N-(Pivaloyloxy)phenacetinN-Pvop102725-57-5DTXSID40145469RefChem:162424DTXCID1067960CHEMBL34390N-[(2,2-dimethylpropanoyl)oxy]-N-(4-ethoxyphenyl)acetamidePropanoic acid, 2,2-dimethyl-, acetyl(4-ethoxyphenyl)azanyl ester
Database identifiers
- CAS
102725-57-5- PubChem CID
- 128192
- DTXSID
DTXSID40145469- ChEMBL
CHEMBL34390- Nikkaji
- J633.219F
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 340
Physicochemical properties
- Boiling point
- 376.7 · 376.7±44.0 °C(Predicted)
- Density
- 1.112 · 1.112±0.06 g/cm3(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…