N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide

C20H22N4O6 — CID 6874091

IUPACN,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C20H22N4O6/c1-27-15-9-5-7-13(17(15)29-3)11-21-23-19(25)20(26)24-22-12-14-8-6-10-16(28-2)18(14)30-4/h5-12H,1-4H3,(H,23,25)(H,24,26)/b21-11+,22-12+
InChIKeyDHWRUOXHCZIYQM-XHQRYOPUSA-N
MW414.42 g/mol
LogP1.32
Rot. Bonds8

About N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide

N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide (PubChem CID 6874091) has the molecular formula C20H22N4O6 and a molecular weight of 414.42 g/mol. Its IUPAC name is N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide
PubChem CID6874091
Molecular FormulaC20H22N4O6
Molecular Weight414.42 g/mol
Exact Mass414.15
IUPAC NameN,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide
SMILESCOc1cccc(/C=N/NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c1OC
InChIInChI=1S/C20H22N4O6/c1-27-15-9-5-7-13(17(15)29-3)11-21-23-19(25)20(26)24-22-12-14-8-6-10-16(28-2)18(14)30-4/h5-12H,1-4H3,(H,23,25)(H,24,26)/b21-11+,22-12+
InChIKeyDHWRUOXHCZIYQM-XHQRYOPUSA-N
XLogP1.32
TPSA119.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'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 N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide (CID 6874091) is N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide is COc1cccc(/C=N/NC(=O)C(=O)N/N=C/c2cccc(OC)c2OC)c1OC.
What is the InChIKey of N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide?
The InChIKey is DHWRUOXHCZIYQM-XHQRYOPUSA-N. The full InChI is InChI=1S/C20H22N4O6/c1-27-15-9-5-7-13(17(15)29-3)11-21-23-19(25)20(26)24-22-12-14-8-6-10-16(28-2)18(14)30-4/h5-12H,1-4H3,(H,23,25)(H,24,26)/b21-11+,22-12+.
What are the key properties of N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide?
N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide has a molecular weight of 414.42 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(2,3-dimethoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 6874091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).