Basic information
- Standard SMILES
COC(=O)C=Cc1ccc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cc1- InChIKey
ZWIDYYGWGRVTNG-UHFFFAOYSA-N- Molecular formula
- C22H24N2O5
- Average molar mass
- 396.4 g/mol
- Monoisotopic mass
- 396.16852187
Names & identifiers
- Preferred name
- Methyl 3-[4-(2-t-butoxycarbonylamino-phenylcarbamoyl)-phenyl]-acrylate
- IUPAC
- methyl 3-[4-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamoyl]phenyl]prop-2-enoate
Names & synonyms
ZWIDYYGWGRVTNG-UHFFFAOYSA-NMethyl 3-[4-(2-t-butoxycarbonylamino-phenylcarbamoyl)-phenyl]-acrylate
Database identifiers
- PubChem CID
- 72479809
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 93.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 603
Related reactions
4 records
Compound notes
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