Basic information
- Standard SMILES
CCCCOC(=O)c1ccc(N(C)C=Nc2ccc(C(=O)OCC)cc2)cc1- InChIKey
WGRDGYQXGAVZRE-UHFFFAOYSA-N- Molecular formula
- C22H26N2O4
- Average molar mass
- 382.5 g/mol
- Monoisotopic mass
- 382.18925731
Names & identifiers
- Preferred name
- N-(4-n-Butoxycarbonylphenyl)-N'-(4'-ethoxycarbonylphenyl)-N-methylformamidine
- IUPAC
- ethyl 4-[(4-butoxycarbonyl-N-methylanilino)methylideneamino]benzoate
Names & synonyms
SCHEMBL6654409SCHEMBL6654414WGRDGYQXGAVZRE-UHFFFAOYSA-NN-(4-n-Butoxycarbonylphenyl)-N'-(4'-ethoxycarbonylphenyl)-N-methylformamidine
Database identifiers
- PubChem CID
- 12423508
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 507
Related reactions
2 records
Compound notes
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