N-(2-cyanoacetyl)-N,N'-dibutylurea
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Basic information
- Standard SMILES
CCCCNC(=O)N(CCCC)C(=O)CC#N- InChIKey
ZHOVDPLQVXDDEX-UHFFFAOYSA-N- Molecular formula
- C12H21N3O2
- Average molar mass
- 239.31 g/mol
Names & identifiers
- Preferred name
- N-(2-cyanoacetyl)-N,N'-dibutylurea
- IUPAC
- N-butyl-N-(butylcarbamoyl)-2-cyanoacetamide
Names & synonyms
SCHEMBL5076250ZHOVDPLQVXDDEX-UHFFFAOYSA-NN-(2-cyanoacetyl)-N,N'-dibutylurea
Database identifiers
- PubChem CID
- 10376972
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 293
Related reactions
1 records
Compound notes
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