1-[4-(Benzyloxy)phenyl]-3-butylurea

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Basic information

CAS: 6186-12-5
Standard SMILES: CCCCNC(=O)Nc1ccc(OCc2ccccc2)cc1
InChIKey: ICLDVFZTICVXNN-UHFFFAOYSA-N
Molecular formula: C18H22N2O2
Average molar mass: 298.4 g/mol
Monoisotopic mass: 298.16812795

Names & identifiers

Preferred name: 1-[4-(Benzyloxy)phenyl]-3-butylurea
IUPAC: 1-butyl-3-(4-phenylmethoxyphenyl)urea

Names & synonyms

6186-12-51-[4-(benzyloxy)phenyl]-3-butylureaNSC916891-butyl-3-(4-phenylmethoxyphenyl)ureaNCIOpen2_005596DTXSID70293705NSC-91689N-[4-(Benzyloxy)phenyl]-N'-butylureaDS-002790

Database identifiers

CAS: 6186-12-5
PubChem CID: 260409
DTXSID: DTXSID70293705

Properties

Computed structural properties

XLogP: 3.6
Topological polar surface area: 50.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 7
Heavy atoms: 22
Formal charge: 0
Complexity: 308

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Compound notes

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