N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide

C20H22N4O5 — CID 167451082

IUPACN-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide
SMILESC=N/C(=N\OCC(=O)N/N=C/c1cc(OC)cc(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H22N4O5/c1-21-20(15-5-7-16(26-2)8-6-15)24-29-13-19(25)23-22-12-14-9-17(27-3)11-18(10-14)28-4/h5-12H,1,13H2,2-4H3,(H,23,25)/b22-12+,24-20-
InChIKeyYXGJQMAHZSFZDQ-KEJZAOJNSA-N
MW398.42 g/mol
LogP2.24
Rot. Bonds9

About N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide

N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide (PubChem CID 167451082) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide.

Molecular Properties

Compound NameN-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide
PubChem CID167451082
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC NameN-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide
SMILESC=N/C(=N\OCC(=O)N/N=C/c1cc(OC)cc(OC)c1)c1ccc(OC)cc1
InChIInChI=1S/C20H22N4O5/c1-21-20(15-5-7-16(26-2)8-6-15)24-29-13-19(25)23-22-12-14-9-17(27-3)11-18(10-14)28-4/h5-12H,1,13H2,2-4H3,(H,23,25)/b22-12+,24-20-
InChIKeyYXGJQMAHZSFZDQ-KEJZAOJNSA-N
XLogP2.24
TPSA103.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(3,5-dimethoxyphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 4236788
N-[(3,5-dimethoxyphenyl)methylideneamino]-4-fluorobenzamide
CID 2641916
N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 9215270
N,N'-bis[(E)-(3,5-dimethoxyphenyl)methylideneamino]-3-oxopentanediamide
CID 44621401
2-(4-chloro-3-methylphenoxy)-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]acetamide
CID 9316720
4-tert-butyl-N-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 7414381
N-[(E)-(4-methoxyphenyl)methylideneamino]-N'-[(Z)-(4-methoxyphenyl)methylideneamino]propanediamide
CID 44726282
methyl 4-[[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 2303785
N-[(E)-(4-hydroxy-3,5-dimethylphenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 135719900
N,N'-bis[(E)-(4-methoxyphenyl)methylideneamino]butanediamide
CID 6869271
N-[(E)-(4-fluorophenyl)methylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 6893389
[4-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6114136

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide?
The IUPAC name of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide (CID 167451082) is N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide.
What is the SMILES notation for N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide?
The canonical SMILES for N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide is C=N/C(=N\OCC(=O)N/N=C/c1cc(OC)cc(OC)c1)c1ccc(OC)cc1.
What is the InChIKey of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide?
The InChIKey is YXGJQMAHZSFZDQ-KEJZAOJNSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-21-20(15-5-7-16(26-2)8-6-15)24-29-13-19(25)23-22-12-14-9-17(27-3)11-18(10-14)28-4/h5-12H,1,13H2,2-4H3,(H,23,25)/b22-12+,24-20-.
What are the key properties of N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide?
N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide has a molecular weight of 398.42 g/mol, XLogP of 2.24, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3,5-dimethoxyphenyl)methylideneamino]-2-[(Z)-[(4-methoxyphenyl)-(methylideneamino)methylidene]amino]oxyacetamide is sourced from PubChem (CID 167451082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).