2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide

C20H24N2O4 — CID 7669003

IUPAC2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(/C=N\OCC(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C20H24N2O4/c1-13-8-14(2)20(15(3)9-13)22-19(23)12-26-21-11-16-6-7-17(24-4)18(10-16)25-5/h6-11H,12H2,1-5H3,(H,22,23)/b21-11-
InChIKeyNNUOJYGCKHFSDU-NHDPSOOVSA-N
MW356.42 g/mol
LogP3.62
Rot. Bonds7

About 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide

2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 7669003) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID7669003
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Name2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
SMILESCOc1ccc(/C=N\OCC(=O)Nc2c(C)cc(C)cc2C)cc1OC
InChIInChI=1S/C20H24N2O4/c1-13-8-14(2)20(15(3)9-13)22-19(23)12-26-21-11-16-6-7-17(24-4)18(10-16)25-5/h6-11H,12H2,1-5H3,(H,22,23)/b21-11-
InChIKeyNNUOJYGCKHFSDU-NHDPSOOVSA-N
XLogP3.62
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide (CID 7669003) is 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide is COc1ccc(/C=N\OCC(=O)Nc2c(C)cc(C)cc2C)cc1OC.
What is the InChIKey of 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is NNUOJYGCKHFSDU-NHDPSOOVSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-13-8-14(2)20(15(3)9-13)22-19(23)12-26-21-11-16-6-7-17(24-4)18(10-16)25-5/h6-11H,12H2,1-5H3,(H,22,23)/b21-11-.
What are the key properties of 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide?
2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 356.42 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(3,4-dimethoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 7669003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).