1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea

C11H15N3O3 — CID 135432357

IUPAC1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea
SMILESCON=CNC(=O)NOCc1ccc(C)cc1
InChIInChI=1S/C11H15N3O3/c1-9-3-5-10(6-4-9)7-17-14-11(15)12-8-13-16-2/h3-6,8H,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyWQCUPMYDOVCSDW-UHFFFAOYSA-N
MW237.26 g/mol
LogP1.32
Rot. Bonds5

About 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea

1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea (PubChem CID 135432357) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea.

Molecular Properties

Compound Name1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea
PubChem CID135432357
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea
SMILESCON=CNC(=O)NOCc1ccc(C)cc1
InChIInChI=1S/C11H15N3O3/c1-9-3-5-10(6-4-9)7-17-14-11(15)12-8-13-16-2/h3-6,8H,7H2,1-2H3,(H2,12,13,14,15)
InChIKeyWQCUPMYDOVCSDW-UHFFFAOYSA-N
XLogP1.32
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea?
The IUPAC name of 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea (CID 135432357) is 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea.
What is the SMILES notation for 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea?
The canonical SMILES for 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea is CON=CNC(=O)NOCc1ccc(C)cc1.
What is the InChIKey of 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea?
The InChIKey is WQCUPMYDOVCSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-9-3-5-10(6-4-9)7-17-14-11(15)12-8-13-16-2/h3-6,8H,7H2,1-2H3,(H2,12,13,14,15).
What are the key properties of 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea?
1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea has a molecular weight of 237.26 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methoxyiminomethyl)-3-[(4-methylphenyl)methoxy]urea is sourced from PubChem (CID 135432357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).