Basic information
- Standard SMILES
Cc1ccccc1NC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1- InChIKey
AUHMFODGDZICLJ-UHFFFAOYSA-N- Molecular formula
- C20H25N3O3
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.18959167
Names & identifiers
- Preferred name
- Tert-butyl 4-({[(2-methylphenyl)amino]carbonyl}amino)benzylcarbamate
- IUPAC
- tert-butyl N-[[4-[(2-methylphenyl)carbamoylamino]phenyl]methyl]carbamate
Names & synonyms
SCHEMBL5679444AUHMFODGDZICLJ-UHFFFAOYSA-Ntert-butyl 4-({[(2-methylphenyl)amino]carbonyl}amino)benzylcarbamatetert-Butyl 4-({[(2-methylphenyl)amino]carbonyl}amino)benzyl-carbamate
Database identifiers
- PubChem CID
- 21032485
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 467
Related reactions
6 records
Compound notes
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