[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea

C11H15N3O3 — CID 124643941

IUPAC[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
SMILESCOc1cc(C)c(/C=N\NC(N)=O)cc1OC
InChIInChI=1S/C11H15N3O3/c1-7-4-9(16-2)10(17-3)5-8(7)6-13-14-11(12)15/h4-6H,1-3H3,(H3,12,14,15)/b13-6-
InChIKeyHBRRDASWFRONSS-MLPAPPSSSA-N
MW237.26 g/mol
LogP1.01
Rot. Bonds4

About [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea

[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea (PubChem CID 124643941) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea.

Molecular Properties

Compound Name[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
PubChem CID124643941
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea
SMILESCOc1cc(C)c(/C=N\NC(N)=O)cc1OC
InChIInChI=1S/C11H15N3O3/c1-7-4-9(16-2)10(17-3)5-8(7)6-13-14-11(12)15/h4-6H,1-3H3,(H3,12,14,15)/b13-6-
InChIKeyHBRRDASWFRONSS-MLPAPPSSSA-N
XLogP1.01
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[(Z)-(3,4-dimethoxyphenyl)methylideneamino]urea
CID 5354158
3,4-dimethoxy-N-[(Z)-(2,4,5-trimethylphenyl)methylideneamino]benzamide
CID 9232674
2-[4-[(carbamoylhydrazinylidene)methyl]-5-chloro-2-methoxyphenoxy]acetamide
CID 168533326
2-bromo-N-[(4,5-dimethoxy-2-methylphenyl)methylideneamino]benzamide
CID 3594626
[(E)-(5-fluoro-2-methylphenyl)methylideneamino]urea
CID 103942661
ethyl 2-[5-bromo-4-[(carbamoylhydrazinylidene)methyl]-2-methoxyphenoxy]propanoate
CID 168533353
[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]urea
CID 135666337
[(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)methylideneamino]urea
CID 168532816
[(E)-(4-chloro-2-methylphenyl)methylideneamino]urea
CID 103846300
[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]thiourea
CID 7575205
methyl 2-[4-[(carbamoylhydrazinylidene)methyl]-2-methoxy-5-nitrophenoxy]acetate
CID 168533162
[(2,4-dichloro-5-methylphenyl)methylideneamino]urea
CID 168532506

Frequently Asked Questions

What is the IUPAC name of [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea?
The IUPAC name of [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea (CID 124643941) is [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea.
What is the SMILES notation for [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea?
The canonical SMILES for [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea is COc1cc(C)c(/C=N\NC(N)=O)cc1OC.
What is the InChIKey of [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea?
The InChIKey is HBRRDASWFRONSS-MLPAPPSSSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7-4-9(16-2)10(17-3)5-8(7)6-13-14-11(12)15/h4-6H,1-3H3,(H3,12,14,15)/b13-6-.
What are the key properties of [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea?
[(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea has a molecular weight of 237.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-(4,5-dimethoxy-2-methylphenyl)methylideneamino]urea is sourced from PubChem (CID 124643941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).