2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide

C16H17N3O3 — CID 110337136

IUPAC2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2N)c(OC)c1
InChIInChI=1S/C16H17N3O3/c1-21-12-8-7-11(15(9-12)22-2)10-18-19-16(20)13-5-3-4-6-14(13)17/h3-10H,17H2,1-2H3,(H,19,20)/b18-10+
InChIKeyUAXCJKBFNPYGEG-VCHYOVAHSA-N
MW299.33 g/mol
LogP2.05
Rot. Bonds5

About 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide

2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide (PubChem CID 110337136) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
PubChem CID110337136
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2N)c(OC)c1
InChIInChI=1S/C16H17N3O3/c1-21-12-8-7-11(15(9-12)22-2)10-18-19-16(20)13-5-3-4-6-14(13)17/h3-10H,17H2,1-2H3,(H,19,20)/b18-10+
InChIKeyUAXCJKBFNPYGEG-VCHYOVAHSA-N
XLogP2.05
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 6042268
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6113425
N-[(2,4-dimethoxyphenyl)methylideneamino]-3-methoxynaphthalene-2-carboxamide
CID 3422870
2-amino-N-[(Z)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 136926350
N-[(2,4-dimethoxyphenyl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 760422
N-[(Z)-(2-ethoxyphenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 6272851
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-methylquinoline-4-carboxamide
CID 5404495
2-hydroxy-N-[(Z)-(2-hydroxy-4-methoxyphenyl)methylideneamino]benzamide
CID 135883025
N'-[(E)-(2,4-dimethoxyphenyl)methylideneamino]oxamide
CID 6907755
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 6870795
N-[4-[[(2,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenyl]-2-methylbenzamide
CID 74905812
N-[(Z)-(2,4-dimethoxyphenyl)methylideneamino]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 126006946

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide (CID 110337136) is 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccccc2N)c(OC)c1.
What is the InChIKey of 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
The InChIKey is UAXCJKBFNPYGEG-VCHYOVAHSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-21-12-8-7-11(15(9-12)22-2)10-18-19-16(20)13-5-3-4-6-14(13)17/h3-10H,17H2,1-2H3,(H,19,20)/b18-10+.
What are the key properties of 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide?
2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide has a molecular weight of 299.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 110337136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).