N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide

C18H19N3O5 — CID 4072889

IUPACN'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NN=C(C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H19N3O5/c1-3-26-14-7-4-12(5-8-14)19-17(24)18(25)21-20-11(2)15-9-6-13(22)10-16(15)23/h4-10,22-23H,3H2,1-2H3,(H,19,24)(H,21,25)
InChIKeySEJMCBLVSKDBCP-UHFFFAOYSA-N
MW357.37 g/mol
LogP1.98
Rot. Bonds5

About N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide

N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide (PubChem CID 4072889) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide
PubChem CID4072889
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NN=C(C)c2ccc(O)cc2O)cc1
InChIInChI=1S/C18H19N3O5/c1-3-26-14-7-4-12(5-8-14)19-17(24)18(25)21-20-11(2)15-9-6-13(22)10-16(15)23/h4-10,22-23H,3H2,1-2H3,(H,19,24)(H,21,25)
InChIKeySEJMCBLVSKDBCP-UHFFFAOYSA-N
XLogP1.98
TPSA120.25 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

N-(4-ethoxyphenyl)-N'-[(E)-1-(4-hydroxyphenyl)ethylideneamino]oxamide
CID 135554232
N-(3-chlorophenyl)-N'-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]oxamide
CID 135554206
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 3527401
4-[2-[1-(2,4-dihydroxyphenyl)ethenyl]hydrazinyl]-N-(4-ethoxyphenyl)-4-oxobutanamide
CID 2427339
[4-[N-[[2-(4-ethoxyanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 4-methylbenzoate
CID 5051283
1-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-3-phenylurea
CID 135643114
4-[(4-ethoxyphenoxy)methyl]-N-[(E)-1-(2-hydroxy-4-methoxyphenyl)ethylideneamino]benzamide
CID 135752121
(2,4-dihydroxyphenyl)-(4-ethoxy-2-hydroxyphenyl)methanone
CID 23069395
N-(4-ethoxyphenyl)-N'-(2-hydroxy-5-methylphenyl)oxamide
CID 108514438
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(3,4-dimethylphenoxy)acetamide
CID 135569434
N-(4-ethoxyphenyl)-N'-[(E)-4-phenylbutan-2-ylideneamino]oxamide
CID 7700055

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide?
The IUPAC name of N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide (CID 4072889) is N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide.
What is the SMILES notation for N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide?
The canonical SMILES for N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide is CCOc1ccc(NC(=O)C(=O)NN=C(C)c2ccc(O)cc2O)cc1.
What is the InChIKey of N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide?
The InChIKey is SEJMCBLVSKDBCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-3-26-14-7-4-12(5-8-14)19-17(24)18(25)21-20-11(2)15-9-6-13(22)10-16(15)23/h4-10,22-23H,3H2,1-2H3,(H,19,24)(H,21,25).
What are the key properties of N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide?
N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide has a molecular weight of 357.37 g/mol, XLogP of 1.98, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide is sourced from PubChem (CID 4072889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).