2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C17H22N4O4 — CID 9354662

IUPAC2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1cccc(/C=N\OCC(=O)Nc2c(C)nn(C)c2C)c1OC
InChIInChI=1S/C17H22N4O4/c1-11-16(12(2)21(3)20-11)19-15(22)10-25-18-9-13-7-6-8-14(23-4)17(13)24-5/h6-9H,10H2,1-5H3,(H,19,22)/b18-9-
InChIKeyFIKBBAXTVJQNCO-NVMNQCDNSA-N
MW346.39 g/mol
LogP2.04
Rot. Bonds7

About 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 9354662) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID9354662
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOc1cccc(/C=N\OCC(=O)Nc2c(C)nn(C)c2C)c1OC
InChIInChI=1S/C17H22N4O4/c1-11-16(12(2)21(3)20-11)19-15(22)10-25-18-9-13-7-6-8-14(23-4)17(13)24-5/h6-9H,10H2,1-5H3,(H,19,22)/b18-9-
InChIKeyFIKBBAXTVJQNCO-NVMNQCDNSA-N
XLogP2.04
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-[(Z)-(2-bromophenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354583
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(4-ethylphenyl)acetamide
CID 7703851
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-ethoxyphenyl)acetamide
CID 7703795
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(2-methylpropyl)acetamide
CID 7704045
N-(2-chloro-4-methylphenyl)-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7703823
N-[(2R)-butan-2-yl]-2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetamide
CID 7704038
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] (E)-3-(2-methoxyphenyl)-2-phenylprop-2-enoate
CID 7702649
2-[(Z)-(2-methoxyphenyl)methylideneamino]oxy-N-(2,4,6-trimethylphenyl)acetamide
CID 7664139
ethyl 2-[[2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7704027
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 6890412
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
2-(2-methoxy-4-methylphenoxy)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 9354234

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 9354662) is 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is COc1cccc(/C=N\OCC(=O)Nc2c(C)nn(C)c2C)c1OC.
What is the InChIKey of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is FIKBBAXTVJQNCO-NVMNQCDNSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-11-16(12(2)21(3)20-11)19-15(22)10-25-18-9-13-7-6-8-14(23-4)17(13)24-5/h6-9H,10H2,1-5H3,(H,19,22)/b18-9-.
What are the key properties of 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 346.39 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]oxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 9354662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).