N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide

C20H22N4O6 — CID 135459016

IUPACN,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O
InChIInChI=1S/C20H22N4O6/c1-3-29-17-9-13(5-7-15(17)25)11-21-23-19(27)20(28)24-22-12-14-6-8-16(26)18(10-14)30-4-2/h5-12,25-26H,3-4H2,1-2H3,(H,23,27)(H,24,28)/b21-11+,22-12+
InChIKeyYIDDZQVBSDBDFM-XHQRYOPUSA-N
MW414.42 g/mol
LogP1.50
Rot. Bonds8

About N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide

N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide (PubChem CID 135459016) has the molecular formula C20H22N4O6 and a molecular weight of 414.42 g/mol. Its IUPAC name is N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
PubChem CID135459016
Molecular FormulaC20H22N4O6
Molecular Weight414.42 g/mol
Exact Mass414.15
IUPAC NameN,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O
InChIInChI=1S/C20H22N4O6/c1-3-29-17-9-13(5-7-15(17)25)11-21-23-19(27)20(28)24-22-12-14-6-8-16(26)18(10-14)30-4-2/h5-12,25-26H,3-4H2,1-2H3,(H,23,27)(H,24,28)/b21-11+,22-12+
InChIKeyYIDDZQVBSDBDFM-XHQRYOPUSA-N
XLogP1.50
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.42
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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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Related Compounds

Benzaldehyde, 4-hydroxy-3-methoxy-, 2-[(4-hydroxy-3-methoxyphenyl)methylene]hydrazone
CID 135414383
N'-[(Z)-(3-methoxy-4-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237262
N-[(E)-(3-cyclopentyloxy-4-methoxyphenyl)methylideneamino]acetamide
CID 9860400
N-[2-[2-[(E)-(5-methoxy-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]hydrazinyl]-2-oxoethyl]-2-phenoxyacetamide
CID 135549613
3-Ethoxy-4-hydroxybenzaldehyde (3-ethoxy-4-hydroxybenzylidene)hydrazone
CID 135418706
N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]cyclopropanecarboxamide
CID 5334780
(2E)-2-{3-[2-(4-methylphenoxy)ethoxy]benzylidene}hydrazinecarboxamide
CID 9600675
N-[(Z)-[3-[(E)-cinnamyl]oxybenzylidene]amino]acetamide
CID 25237178
N'-{(E)-[3-ethoxy-4-(propan-2-yloxy)phenyl]methylidene}cyclopropanecarbohydrazide
CID 25237184
2-methoxy-N'-[(Z)-(3-methoxy-2-{[(2E)-3-phenylprop-2-en-1-yl]oxy}phenyl)methylidene]acetohydrazide
CID 25237321
N'-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]oxamide
CID 135433201
N'-(3-ethoxy-4-hydroxybenzylidene)-2-(phenylsulfanyl)propanohydrazide
CID 135444113

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
The IUPAC name of N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide (CID 135459016) is N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide is CCOc1cc(/C=N/NC(=O)C(=O)N/N=C/c2ccc(O)c(OCC)c2)ccc1O.
What is the InChIKey of N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
The InChIKey is YIDDZQVBSDBDFM-XHQRYOPUSA-N. The full InChI is InChI=1S/C20H22N4O6/c1-3-29-17-9-13(5-7-15(17)25)11-21-23-19(27)20(28)24-22-12-14-6-8-16(26)18(10-14)30-4-2/h5-12,25-26H,3-4H2,1-2H3,(H,23,27)(H,24,28)/b21-11+,22-12+.
What are the key properties of N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide?
N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide has a molecular weight of 414.42 g/mol, XLogP of 1.50, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 135459016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).