[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea

C10H13N3O2 — CID 136727835

IUPAC[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
SMILESCc1cc(/C=N\NC(N)=O)cc(C)c1O
InChIInChI=1S/C10H13N3O2/c1-6-3-8(4-7(2)9(6)14)5-12-13-10(11)15/h3-5,14H,1-2H3,(H3,11,13,15)/b12-5-
InChIKeyNZIJLIVHVXFWDZ-XGICHPGQSA-N
MW207.23 g/mol
LogP1.01
Rot. Bonds2

About [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea

[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea (PubChem CID 136727835) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
PubChem CID136727835
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
SMILESCc1cc(/C=N\NC(N)=O)cc(C)c1O
InChIInChI=1S/C10H13N3O2/c1-6-3-8(4-7(2)9(6)14)5-12-13-10(11)15/h3-5,14H,1-2H3,(H3,11,13,15)/b12-5-
InChIKeyNZIJLIVHVXFWDZ-XGICHPGQSA-N
XLogP1.01
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(4-ethoxy-3,5-dimethylphenyl)methylideneamino]urea
CID 168531915
1-ethyl-3-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea
CID 137261926
[(E)-(4-fluoro-3-methylphenyl)methylideneamino]urea
CID 63318884
4-chloro-N-[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 137021928
2-chloro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4002314
2-hydroxy-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2,2-diphenylacetamide
CID 135765568
3-fluoro-N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]benzamide
CID 4031826
2-(3,4-dimethylanilino)-N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]acetamide
CID 135788625
N-[(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 5124745
[(E)-benzylideneamino]urea
CID 6861419
[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]urea
CID 135851177
[[3,5-difluoro-4-(trifluoromethyl)phenyl]methylideneamino]urea
CID 168533259

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea (CID 136727835) is [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea is Cc1cc(/C=N\NC(N)=O)cc(C)c1O.
What is the InChIKey of [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea?
The InChIKey is NZIJLIVHVXFWDZ-XGICHPGQSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6-3-8(4-7(2)9(6)14)5-12-13-10(11)15/h3-5,14H,1-2H3,(H3,11,13,15)/b12-5-.
What are the key properties of [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea?
[(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea has a molecular weight of 207.23 g/mol, XLogP of 1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]urea is sourced from PubChem (CID 136727835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).