1-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-3-(4-methoxyphenyl)urea

HCID 950998

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Basic information

CAS: 958940-23-3
Standard SMILES: COc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)NN)cc1
InChIKey: FUWFPSBMQILPQH-HNNXBMFYSA-N
Molecular formula: C17H20N4O3
Average molar mass: 328.4 g/mol
Monoisotopic mass: 328.15354051

Names & identifiers

Preferred name: 1-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-3-(4-methoxyphenyl)urea
IUPAC: 1-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-3-(4-methoxyphenyl)urea

Names & synonyms

1-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-3-(4-methoxyphenyl)urea958940-23-3MLS000769302CHEMBL1707660DTXSID501326016HMS2792P16STK553043AKOS005480365SMR000434036(S)-1-(1-hydrazinyl-1-oxo-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)urea1-((S)-1-Hydrazinocarbonyl-2-phenyl-ethyl)-3-(4-methoxy-phenyl)-ureaN-[(2S)-1-Hydrazinyl-1-oxo-3-phenylpropan-2-yl]-N'-(4-methoxyphenyl)urea

Show more names

1-[(2S)-1-hydrazinyl-1-oxo-3-phenylpropan-2-yl]-3-(4-methoxyphenyl)urea (non-preferred name)

Database identifiers

CAS: 958940-23-3
PubChem CID: 950998
DTXSID: DTXSID501326016
ChEMBL: CHEMBL1707660

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 105 Å²
Hydrogen bond donors: 4
Hydrogen bond acceptors: 4
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 405

Experimental & physicochemical properties

Solubility44.1 [ug/mL] (The mean of the results at pH 7.4)

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