N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide

C17H17N3O4 — CID 3527401

IUPACN'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=C(C)c2ccccc2O)cc1
InChIInChI=1S/C17H17N3O4/c1-11(14-5-3-4-6-15(14)21)19-20-17(23)16(22)18-12-7-9-13(24-2)10-8-12/h3-10,21H,1-2H3,(H,18,22)(H,20,23)
InChIKeyBNONLFWBCHPIKV-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.88
Rot. Bonds4

About N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide

N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide (PubChem CID 3527401) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
PubChem CID3527401
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NN=C(C)c2ccccc2O)cc1
InChIInChI=1S/C17H17N3O4/c1-11(14-5-3-4-6-15(14)21)19-20-17(23)16(22)18-12-7-9-13(24-2)10-8-12/h3-10,21H,1-2H3,(H,18,22)(H,20,23)
InChIKeyBNONLFWBCHPIKV-UHFFFAOYSA-N
XLogP1.88
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
N-(4-chlorophenyl)-N'-[(E)-1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 19661028
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenoxy)acetamide
CID 914091
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-2,2-bis(4-methoxyphenyl)acetamide
CID 135684346
N-(3-chloro-4-fluorophenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide
CID 135833133
N'-[(E)-1-(5-chlorothiophen-2-yl)ethylideneamino]-N-(4-methoxyphenyl)oxamide
CID 19658584
N'-[1-(2,4-dihydroxyphenyl)ethylideneamino]-N-(4-ethoxyphenyl)oxamide
CID 4072889
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868
N,N'-bis[1-(4-methoxyphenyl)ethylideneamino]oxamide
CID 4100154
[2-[N-[[2-(4-fluoroanilino)-2-oxoacetyl]amino]-C-methylcarbonimidoyl]phenyl] 3-methoxybenzoate
CID 4547171
N-(2-ethoxyphenyl)-N'-[(E)-1-(2-hydroxyphenyl)ethylideneamino]oxamide
CID 135615618

Frequently Asked Questions

What is the IUPAC name of N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide?
The IUPAC name of N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide (CID 3527401) is N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide?
The canonical SMILES for N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NN=C(C)c2ccccc2O)cc1.
What is the InChIKey of N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide?
The InChIKey is BNONLFWBCHPIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-11(14-5-3-4-6-15(14)21)19-20-17(23)16(22)18-12-7-9-13(24-2)10-8-12/h3-10,21H,1-2H3,(H,18,22)(H,20,23).
What are the key properties of N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide?
N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide has a molecular weight of 327.34 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(2-hydroxyphenyl)ethylideneamino]-N-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 3527401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).