Basic information
- Standard SMILES
CCOC(=O)CC(C)(C)NC(=O)NCCCCBr- InChIKey
VQHRUUMFMHDPHR-UHFFFAOYSA-N- Molecular formula
- C12H23BrN2O3
- Average molar mass
- 323.23 g/mol
- Monoisotopic mass
- 322.08921
Names & identifiers
- Preferred name
- Ethyl 3-[(4-bromobutyl)aminocarbonylamino]-3-methylbutanoate
- IUPAC
- ethyl 3-(4-bromobutylcarbamoylamino)-3-methylbutanoate
Names & synonyms
SCHEMBL9520315VQHRUUMFMHDPHR-UHFFFAOYSA-Nethyl 3-[(4-bromobutyl)aminocarbonylamino]-3-methylbutanoate
Database identifiers
- PubChem CID
- 20184474
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 270
Related reactions
3 records
Compound notes
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