Basic information
- Standard SMILES
COc1cccc(NC(=O)CCN(C)C(=O)OC(C)(C)C)c1N- InChIKey
FUZWXYYXKCEFJN-UHFFFAOYSA-N- Molecular formula
- C16H25N3O4
- Average molar mass
- 323.39 g/mol
Names & identifiers
- Preferred name
- [2-(2-Amino-3-methoxy-phenylcarbamoyl)-ethyl]-methyl-carbamic acid tert.-butyl ester
- IUPAC
- tert-butyl N-[3-(2-amino-3-methoxyanilino)-3-oxopropyl]-N-methylcarbamate
Names & synonyms
SCHEMBL2840952FUZWXYYXKCEFJN-UHFFFAOYSA-N[2-(2-amino-3-methoxy-phenylcarbamoyl)-ethyl]-methyl-carbamic acid tert.-butyl ester
Database identifiers
- PubChem CID
- 68411798
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 93.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 409
Related reactions
2 records
Linked notes
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