N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide

C17H18N2O3 — CID 6042268

IUPACN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-4-5-7-15(12)17(20)19-18-11-13-8-9-14(21-2)10-16(13)22-3/h4-11H,1-3H3,(H,19,20)/b18-11-
InChIKeyRHHNKWVQGOKENN-WQRHYEAKSA-N
MW298.34 g/mol
LogP2.78
Rot. Bonds5

About N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide

N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide (PubChem CID 6042268) has the molecular formula C17H18N2O3 and a molecular weight of 298.34 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
PubChem CID6042268
Molecular FormulaC17H18N2O3
Molecular Weight298.34 g/mol
Exact Mass298.13
IUPAC NameN-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
SMILESCOc1ccc(/C=N\NC(=O)c2ccccc2C)c(OC)c1
InChIInChI=1S/C17H18N2O3/c1-12-6-4-5-7-15(12)17(20)19-18-11-13-8-9-14(21-2)10-16(13)22-3/h4-11H,1-3H3,(H,19,20)/b18-11-
InChIKeyRHHNKWVQGOKENN-WQRHYEAKSA-N
XLogP2.78
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
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

N-[4-[[(2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 74905812
2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
CID 110337136
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
N-[(Z)-[4-(diethylamino)-2-methoxyphenyl]methylideneamino]-2-methylbenzamide
CID 5426292
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760422
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
N-[(2,4-dimethoxyphenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 831096
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,6-dimethylquinoline-3-carboxamide
CID 5455436
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 6870795

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide (CID 6042268) is N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide is COc1ccc(/C=N\NC(=O)c2ccccc2C)c(OC)c1.
What is the InChIKey of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide?
The InChIKey is RHHNKWVQGOKENN-WQRHYEAKSA-N. The full InChI is InChI=1S/C17H18N2O3/c1-12-6-4-5-7-15(12)17(20)19-18-11-13-8-9-14(21-2)10-16(13)22-3/h4-11H,1-3H3,(H,19,20)/b18-11-.
What are the key properties of N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide?
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide has a molecular weight of 298.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 6042268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).