ethyl (E)-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]phenyl]prop-2-enoate
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Basic information
- CAS
1223593-71-2- Standard SMILES
CCOC(=O)/C=C/c1ccc(C(=O)NNC(=O)OC(C)(C)C)cc1- InChIKey
TYAQMJQJHZMQPX-DHZHZOJOSA-N- Molecular formula
- C17H22N2O5
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.15287181
Names & identifiers
- Preferred name
- ethyl (E)-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]phenyl]prop-2-enoate
- IUPAC
- ethyl (E)-3-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]carbamoyl]phenyl]prop-2-enoate
- English name
- (E)-tert-butyl 2-(4-(3-ethoxy-3-oxoprop-1-en-1-yl)benzoyl)hydrazinecarboxylate
- Molecular formula
- C17H22N2O5
- Molecular weight
- 334.37
Names & synonyms
SCHEMBL1236287(E)-tert-butyl 2-(4-(3-ethoxy-3-oxoprop-1-en-1-yl)benzoyl)hydrazinecarboxylateHydrazinecarboxylic acid, 2-[4-[(1E)-3-ethoxy-3-oxo-1-propen-1-yl]benzoyl]-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1223593-71-2- PubChem CID
- 66959755
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 474
Physicochemical properties
- Density
- 1.17 · 1.170±0.06 g/cm3(Predicted)
- pka
- 8.83 · 8.83±0.43(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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