N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide

C22H26N4O6 — CID 135884833

IUPACN,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
SMILESCCOc1cc(/C=N\NC(=O)CCC(=O)N/N=C\c2ccc(O)c(OCC)c2)ccc1O
InChIInChI=1S/C22H26N4O6/c1-3-31-19-11-15(5-7-17(19)27)13-23-25-21(29)9-10-22(30)26-24-14-16-6-8-18(28)20(12-16)32-4-2/h5-8,11-14,27-28H,3-4,9-10H2,1-2H3,(H,25,29)(H,26,30)/b23-13-,24-14-
InChIKeyIIQPYZMYACLGGM-GACBQCINSA-N
MW442.47 g/mol
LogP2.28
Rot. Bonds11

About N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide

N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide (PubChem CID 135884833) has the molecular formula C22H26N4O6 and a molecular weight of 442.47 g/mol. Its IUPAC name is N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide.

Molecular Properties

Compound NameN,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
PubChem CID135884833
Molecular FormulaC22H26N4O6
Molecular Weight442.47 g/mol
Exact Mass442.19
IUPAC NameN,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide
SMILESCCOc1cc(/C=N\NC(=O)CCC(=O)N/N=C\c2ccc(O)c(OCC)c2)ccc1O
InChIInChI=1S/C22H26N4O6/c1-3-31-19-11-15(5-7-17(19)27)13-23-25-21(29)9-10-22(30)26-24-14-16-6-8-18(28)20(12-16)32-4-2/h5-8,11-14,27-28H,3-4,9-10H2,1-2H3,(H,25,29)(H,26,30)/b23-13-,24-14-
InChIKeyIIQPYZMYACLGGM-GACBQCINSA-N
XLogP2.28
TPSA141.84 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

N,N'-bis[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]decanediamide
CID 135458926
N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]undecanamide
CID 135684070
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]tetradecanamide
CID 136676038
[2-[(2Z)-2-[(3-ethoxy-4-hydroxyphenyl)methylidene]hydrazinyl]-2-oxoethyl]-trimethylazanium chloride
CID 135422189
N,N'-bis[(Z)-(4-ethoxy-3-methoxyphenyl)methylideneamino]butanediamide
CID 6018005
N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 136664168
N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(4-ethoxyphenyl)propanediamide
CID 3883682
2-(4-tert-butylphenyl)-N-[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 137057622
2-(1-adamantyl)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135816260
2-(2,6-dimethylphenoxy)-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]acetamide
CID 135419496
N,N'-bis[(4-hydroxy-3-methoxyphenyl)methylideneamino]hexanediamide
CID 4295517
3,4-diethoxy-N-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]benzamide
CID 137068274

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide?
The IUPAC name of N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide (CID 135884833) is N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide.
What is the SMILES notation for N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide?
The canonical SMILES for N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide is CCOc1cc(/C=N\NC(=O)CCC(=O)N/N=C\c2ccc(O)c(OCC)c2)ccc1O.
What is the InChIKey of N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide?
The InChIKey is IIQPYZMYACLGGM-GACBQCINSA-N. The full InChI is InChI=1S/C22H26N4O6/c1-3-31-19-11-15(5-7-17(19)27)13-23-25-21(29)9-10-22(30)26-24-14-16-6-8-18(28)20(12-16)32-4-2/h5-8,11-14,27-28H,3-4,9-10H2,1-2H3,(H,25,29)(H,26,30)/b23-13-,24-14-.
What are the key properties of N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide?
N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide has a molecular weight of 442.47 g/mol, XLogP of 2.28, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(Z)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]butanediamide is sourced from PubChem (CID 135884833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).