1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea

Substructure search Find similar structures

Basic information

CAS: 5336-10-7
Standard SMILES: CC(C)(C#N)NC(=O)NC(C)(C)C(N)=O
InChIKey: AHIOEUNLFRYGGH-UHFFFAOYSA-N
Molecular formula: C9H16N4O2
Average molar mass: 212.25 g/mol
Monoisotopic mass: 212.12732577

Names & identifiers

Preferred name: 1-(1-Carbamoyl-1-methylethyl)-3-(1-cyano-1-methylethyl)urea
IUPAC: 2-(2-cyanopropan-2-ylcarbamoylamino)-2-methylpropanamide

Names & synonyms

5336-10-7NSC10331-(1-CARBAMOYL-1-METHYLETHYL)-3-(1-CYANO-1-METHYLETHYL)UREADTXSID20967989NSC-10332-({[(2-Cyanopropan-2-yl)imino](hydroxy)methyl}amino)-2-methylpropanimidic acid

Database identifiers

CAS: 5336-10-7
PubChem CID: 219577
DTXSID: DTXSID20967989

Properties

Computed structural properties

XLogP: -0.7
Topological polar surface area: 108 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 324

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…