1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea

C17H19N3O2 — CID 11709164

IUPAC1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N/NC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C17H19N3O2/c1-12-5-4-6-13(2)16(12)19-17(21)20-18-11-14-7-9-15(22-3)10-8-14/h4-11H,1-3H3,(H2,19,20,21)/b18-11+
InChIKeyRSCVQISBILMMSZ-WOJGMQOQSA-N
MW297.36 g/mol
LogP3.47
Rot. Bonds4

About 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea

1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea (PubChem CID 11709164) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea
PubChem CID11709164
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea
SMILESCOc1ccc(/C=N/NC(=O)Nc2c(C)cccc2C)cc1
InChIInChI=1S/C17H19N3O2/c1-12-5-4-6-13(2)16(12)19-17(21)20-18-11-14-7-9-15(22-3)10-8-14/h4-11H,1-3H3,(H2,19,20,21)/b18-11+
InChIKeyRSCVQISBILMMSZ-WOJGMQOQSA-N
XLogP3.47
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.47
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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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea (CID 11709164) is 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea is COc1ccc(/C=N/NC(=O)Nc2c(C)cccc2C)cc1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea?
The InChIKey is RSCVQISBILMMSZ-WOJGMQOQSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-12-5-4-6-13(2)16(12)19-17(21)20-18-11-14-7-9-15(22-3)10-8-14/h4-11H,1-3H3,(H2,19,20,21)/b18-11+.
What are the key properties of 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea?
1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea has a molecular weight of 297.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-[(E)-(4-methoxyphenyl)methylideneamino]urea is sourced from PubChem (CID 11709164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).