1-(Furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)urea

HCID 970607

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 701969-91-7
Standard SMILES: COc1ccc(C)cc1NC(=O)NCc1ccco1
InChIKey: TXJWOBZXTCQIGK-UHFFFAOYSA-N
Molecular formula: C14H16N2O3
Average molar mass: 260.29 g/mol
Monoisotopic mass: 260.11609238

Names & identifiers

Preferred name: 1-(Furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)urea
IUPAC: 1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)urea

Names & synonyms

1-(furan-2-ylmethyl)-3-(2-methoxy-5-methylphenyl)ureaN-[(Furan-2-yl)methyl]-N'-(2-methoxy-5-methylphenyl)ureaCBKinase1_006370CBKinase1_018770MLS000666394CHEMBL1448407SCHEMBL14403281DTXSID301330794HMS2688C12STK461117AKOS003360140701969-91-7

Show more names

SMR000294218ST50852938SR-01000277041SR-01000277041-1BRD-K76164921-001-01-2N-(2-furylmethyl)-N'-(2-methoxy-5-methylphenyl)ureaZ166723260[(2-furylmethyl)amino]-N-(2-methoxy-5-methylphenyl)carboxamide

Database identifiers

CAS: 701969-91-7
PubChem CID: 970607
DTXSID: DTXSID301330794
ChEMBL: CHEMBL1448407

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 63.5 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 19
Formal charge: 0
Complexity: 298

Experimental & physicochemical properties

Solubility11 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…