1-Methyl-3-[(4-methylbenzoyl)amino]urea

HCID 3271870

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 129521-45-5
Standard SMILES: CNC(=O)NNC(=O)c1ccc(C)cc1
InChIKey: WHQSWNPBJRLDQO-UHFFFAOYSA-N
Molecular formula: C10H13N3O2
Average molar mass: 207.23 g/mol
Monoisotopic mass: 207.10077666

Names & identifiers

Preferred name: 1-Methyl-3-[(4-methylbenzoyl)amino]urea
IUPAC: 1-methyl-3-[(4-methylbenzoyl)amino]urea

Names & synonyms

1-methyl-3-[(4-methylbenzoyl)amino]urea129521-45-5SCHEMBL2896135DTXSID20390894WHQSWNPBJRLDQO-UHFFFAOYSA-NAKOS024336504N-Methyl-2-(4-methylbenzoyl)hydrazinecarboxamideN-methyl-2-(4-methylbenzoyl)-hydrazinecarboxamideN-Methyl-2-(4-methylbenzoyl)hydrazine-1-carboxamide

Database identifiers

CAS: 129521-45-5
PubChem CID: 3271870
DTXSID: DTXSID20390894

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 70.2 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 235

Related reactions

2 records

New reaction record

HRID 660846As productuspto-grants-2011_12

HRID 832032As productTest data from https://doi.org/10.1039/C8SC04228D

Compound notes

Loading…