Basic information
- CAS
80687-23-6- Standard SMILES
Cc1ccc(NC(=O)C(NC(=O)N(CCCl)N=O)C(C)O)cc1- InChIKey
KJJVXCDPJDAOSZ-UHFFFAOYSA-N- Molecular formula
- C14H19ClN4O4
- Average molar mass
- 342.78 g/mol
- Monoisotopic mass
- 342.1094828
Names & identifiers
- Preferred name
- 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-N-(4-methylphenyl)butanamide
- IUPAC
- 2-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-N-(4-methylphenyl)butanamide
Names & synonyms
80687-23-6NSC3565692-[[2-chloroethyl(nitroso)carbamoyl]amino]-3-hydroxy-N-(4-methylphenyl)butanamideDTXSID70320242NSC-356569N~2~-[(2-Chloroethyl)(nitroso)carbamoyl]-N-(4-methylphenyl)threoninamide
Database identifiers
- CAS
80687-23-6- PubChem CID
- 337701
- DTXSID
DTXSID70320242
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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