[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea

C17H19N3O2 — CID 6158288

IUPAC[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea
SMILESCC(C)(Oc1ccccc1)/C(=N\NC(N)=O)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-17(2,22-14-11-7-4-8-12-14)15(19-20-16(18)21)13-9-5-3-6-10-13/h3-12H,1-2H3,(H3,18,20,21)/b19-15-
InChIKeyJIOJVOUXRHAODR-CYVLTUHYSA-N
MW297.36 g/mol
LogP2.92
Rot. Bonds5

About [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea

[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea (PubChem CID 6158288) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea.

Molecular Properties

Compound Name[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea
PubChem CID6158288
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea
SMILESCC(C)(Oc1ccccc1)/C(=N\NC(N)=O)c1ccccc1
InChIInChI=1S/C17H19N3O2/c1-17(2,22-14-11-7-4-8-12-14)15(19-20-16(18)21)13-9-5-3-6-10-13/h3-12H,1-2H3,(H3,18,20,21)/b19-15-
InChIKeyJIOJVOUXRHAODR-CYVLTUHYSA-N
XLogP2.92
TPSA76.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-(3,3-dimethyl-4-oxo-4-phenylbutan-2-ylidene)amino]urea
CID 12654611
[(2-methyl-1-phenylpropylidene)amino]urea
CID 73200660
[1-(3-methoxyphenyl)ethylideneamino]urea
CID 3676916
3-(carbamoylamino)-2-methyl-2-phenoxypropanoic acid
CID 69398776
2-(ethylamino)-2-phenoxypropanamide
CID 174406191
4-(carbamoylhydrazinylidene)-4-phenylbutanoic acid
CID 131861254
[(E)-[cyclobutyl(phenyl)methylidene]amino]urea
CID 5381908
3-benzamido-2,3-dimethyl-2-phenoxybutanoic acid
CID 67625422
[(1,1,1-trifluoro-4-phenylpent-3-en-2-ylidene)amino]urea
CID 78146161
4-[(E)-N-(carbamoylamino)-C-methylcarbonimidoyl]benzoic acid
CID 155250087
[[2-(carbamoylhydrazinylidene)-1-phenylethylidene]amino]urea
CID 6803115
1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
CID 110346348

Frequently Asked Questions

What is the IUPAC name of [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea?
The IUPAC name of [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea (CID 6158288) is [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea.
What is the SMILES notation for [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea?
The canonical SMILES for [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea is CC(C)(Oc1ccccc1)/C(=N\NC(N)=O)c1ccccc1.
What is the InChIKey of [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea?
The InChIKey is JIOJVOUXRHAODR-CYVLTUHYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-17(2,22-14-11-7-4-8-12-14)15(19-20-16(18)21)13-9-5-3-6-10-13/h3-12H,1-2H3,(H3,18,20,21)/b19-15-.
What are the key properties of [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea?
[(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea has a molecular weight of 297.36 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(2-methyl-2-phenoxy-1-phenylpropylidene)amino]urea is sourced from PubChem (CID 6158288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).