[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate

C18H20N2O6 — CID 46500526

IUPAC[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate
SMILESCOc1ccc(/C(N)=N/OC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C18H20N2O6/c1-22-12-7-5-11(6-8-12)17(19)20-26-18(21)13-9-15(24-3)16(25-4)10-14(13)23-2/h5-10H,1-4H3,(H2,19,20)
InChIKeyYSRZFFNRLSSYPZ-UHFFFAOYSA-N
MW360.37 g/mol
LogP2.20
Rot. Bonds7

About [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate

[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate (PubChem CID 46500526) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate
PubChem CID46500526
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC Name[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate
SMILESCOc1ccc(/C(N)=N/OC(=O)c2cc(OC)c(OC)cc2OC)cc1
InChIInChI=1S/C18H20N2O6/c1-22-12-7-5-11(6-8-12)17(19)20-26-18(21)13-9-15(24-3)16(25-4)10-14(13)23-2/h5-10H,1-4H3,(H2,19,20)
InChIKeyYSRZFFNRLSSYPZ-UHFFFAOYSA-N
XLogP2.20
TPSA101.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 52.20
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': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 3296382
[(Z)-[amino-(4-bromophenyl)methylidene]amino] 2,4-dimethoxybenzoate
CID 17380483
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4-dichlorobenzoate
CID 5349145
[[amino(phenyl)methylidene]amino] 4-methoxybenzoate
CID 2841874
[[amino-(4-methoxyphenyl)methylidene]amino] 3-fluorobenzoate
CID 2876742
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 4-iodobenzoate
CID 5349115
[[amino-(4-methoxyphenyl)methylidene]amino] 2,5-dichloropyridine-3-carboxylate
CID 2800140
[[amino(pyridin-1-ium-4-yl)methylidene]amino] 4-methoxybenzoate
CID 135432059
[[amino(phenyl)methylidene]amino] 3,4-dimethoxybenzoate
CID 2213299
[[amino(pyridin-4-yl)methylidene]amino] 3,4-dimethoxybenzoate
CID 3146337
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-(4-methoxyphenoxy)propanoate
CID 2952954
[[amino-(3,4-dimethoxyphenyl)methylidene]amino] 2-fluorobenzoate
CID 2942074

Frequently Asked Questions

What is the IUPAC name of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate?
The IUPAC name of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate (CID 46500526) is [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate.
What is the SMILES notation for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate?
The canonical SMILES for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate is COc1ccc(/C(N)=N/OC(=O)c2cc(OC)c(OC)cc2OC)cc1.
What is the InChIKey of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate?
The InChIKey is YSRZFFNRLSSYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-22-12-7-5-11(6-8-12)17(19)20-26-18(21)13-9-15(24-3)16(25-4)10-14(13)23-2/h5-10H,1-4H3,(H2,19,20).
What are the key properties of [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate?
[(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate has a molecular weight of 360.37 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[amino-(4-methoxyphenyl)methylidene]amino] 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 46500526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).