2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide

C12H17N3O3 — CID 9163888

IUPAC2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
SMILESCOc1ccc(/C=N\OCC(=O)NN(C)C)cc1
InChIInChI=1S/C12H17N3O3/c1-15(2)14-12(16)9-18-13-8-10-4-6-11(17-3)7-5-10/h4-8H,9H2,1-3H3,(H,14,16)/b13-8-
InChIKeyCRZYUGPQOGVTQZ-JYRVWZFOSA-N
MW251.29 g/mol
LogP0.64
Rot. Bonds6

About 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide

2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide (PubChem CID 9163888) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide.

Molecular Properties

Compound Name2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
PubChem CID9163888
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide
SMILESCOc1ccc(/C=N\OCC(=O)NN(C)C)cc1
InChIInChI=1S/C12H17N3O3/c1-15(2)14-12(16)9-18-13-8-10-4-6-11(17-3)7-5-10/h4-8H,9H2,1-3H3,(H,14,16)/b13-8-
InChIKeyCRZYUGPQOGVTQZ-JYRVWZFOSA-N
XLogP0.64
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.64
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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Related Compounds

N-[(4-methoxyphenyl)methyl]-2-[(Z)-(4-methylphenyl)methylideneamino]oxyacetamide
CID 7705410
N-(2-methoxyphenyl)-2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetamide
CID 6219592
[2-[[2-(dimethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8569856
2-(1-adamantyl)-N'-[2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
CID 9474937
2-(1,3-dioxoisoindol-2-yl)-N'-[2-[(4-methoxyphenyl)methylideneamino]oxyacetyl]acetohydrazide
CID 71833687
2-[(Z)-[4-(difluoromethoxy)phenyl]methylideneamino]oxy-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 7644504
1-(azepan-1-yl)-2-[(4-methoxyphenyl)methylideneamino]oxyethanone
CID 2848645
[2-[[(2S)-butan-2-yl]carbamoylamino]-2-oxoethyl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8926147
[2-(N-methylanilino)-2-oxoethyl] 2-[(E)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 42901512
[(2R)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxyacetate
CID 8925672
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 7700967
N-(2,4-dimethoxyphenyl)-2-[(E)-(4-propan-2-ylphenyl)methylideneamino]oxyacetamide
CID 78766612

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide?
The IUPAC name of 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide (CID 9163888) is 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide.
What is the SMILES notation for 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide?
The canonical SMILES for 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide is COc1ccc(/C=N\OCC(=O)NN(C)C)cc1.
What is the InChIKey of 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide?
The InChIKey is CRZYUGPQOGVTQZ-JYRVWZFOSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-15(2)14-12(16)9-18-13-8-10-4-6-11(17-3)7-5-10/h4-8H,9H2,1-3H3,(H,14,16)/b13-8-.
What are the key properties of 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide?
2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide has a molecular weight of 251.29 g/mol, XLogP of 0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(4-methoxyphenyl)methylideneamino]oxy-N',N'-dimethylacetohydrazide is sourced from PubChem (CID 9163888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).