Basic information
- CAS
866043-53-0- Standard SMILES
CN=C(NC(=O)Nc1c(C)cccc1C)NC(=O)Nc1c(C)cccc1C- InChIKey
GKIUUVWTTVWLII-UHFFFAOYSA-N- Molecular formula
- C20H25N5O2
- Average molar mass
- 367.4 g/mol
- Monoisotopic mass
- 367.20082506
Names & identifiers
- Preferred name
- N'-[(E)-{[(2,6-dimethylanilino)carbonyl]amino}(methylamino)methylidene]-N-(2,6-dimethylphenyl)urea
- IUPAC
- 1-(2,6-dimethylphenyl)-3-[N-[(2,6-dimethylphenyl)carbamoyl]-N'-methylcarbamimidoyl]urea
Names & synonyms
866043-53-0N'-[(E)-{[(2,6-dimethylanilino)carbonyl]amino}(methylamino)methylidene]-N-(2,6-dimethylphenyl)urea3-(2,6-dimethylphenyl)-1-[(1E)-{[(2,6-dimethylphenyl)carbamoyl]amino}(methylamino)methylidene]urea1-(2,6-dimethylphenyl)-3-[N-[(2,6-dimethylphenyl)carbamoyl]-N'-methylcarbamimidoyl]ureaMLS000755491CHEMBL1402282DTXSID901191724HMS2600D07MFCD05670724AKOS005110103AKOS030253410MS-3699
Show more names
SMR000337628N,N'-(Methylcarbonimidoyl)bis[N'-(2,6-dimethylphenyl)urea]3,3a(2)-(Methylimino)methylenebis[N-(2,6-dimethylphenyl)urea]1-(2,6-dimethylphenyl)-3-[N-[(2,6-dimethylphenyl)carbamoyl]-N'-methyl-carbamimidoyl]urea
Database identifiers
- CAS
866043-53-0- PubChem CID
- 4668643
- DTXSID
DTXSID901191724- ChEMBL
CHEMBL1402282
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 486
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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