N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide

C18H19N3O4 — CID 135756956

IUPACN'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1O
InChIInChI=1S/C18H19N3O4/c1-3-25-16-10-13(8-9-15(16)22)11-19-21-18(24)17(23)20-14-7-5-4-6-12(14)2/h4-11,22H,3H2,1-2H3,(H,20,23)(H,21,24)/b19-11+
InChIKeyZLAIURWYNBQMPS-YBFXNURJSA-N
MW341.37 g/mol
LogP2.19
Rot. Bonds5

About N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide

N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide (PubChem CID 135756956) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
PubChem CID135756956
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
SMILESCCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1O
InChIInChI=1S/C18H19N3O4/c1-3-25-16-10-13(8-9-15(16)22)11-19-21-18(24)17(23)20-14-7-5-4-6-12(14)2/h4-11,22H,3H2,1-2H3,(H,20,23)(H,21,24)/b19-11+
InChIKeyZLAIURWYNBQMPS-YBFXNURJSA-N
XLogP2.19
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

N-(4-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 3105099
N-(5-chloro-2-methylphenyl)-N'-[(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 4594716
N-(2-ethoxyphenyl)-N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554201
N-(3,4-dimethylphenyl)-N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]oxamide
CID 135756954
N'-[(Z)-(3-ethoxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide
CID 8932252
N'-[(Z)-[4-(2-anilino-2-oxoethoxy)-3-ethoxyphenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126172656
N-(2-chlorophenyl)-N'-[(Z)-(3,4-diethoxyphenyl)methylideneamino]oxamide
CID 8931980
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N'-[(Z)-(3-bromo-4-ethoxyphenyl)methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 8931693
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 135821509
N'-[(E)-[3-ethoxy-4-[(2-methylphenyl)methoxy]phenyl]methylideneamino]-N-(2-fluorophenyl)oxamide
CID 19658323
N'-[(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-methylphenyl)propanediamide
CID 3513929

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide (CID 135756956) is N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide is CCOc1cc(/C=N/NC(=O)C(=O)Nc2ccccc2C)ccc1O.
What is the InChIKey of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide?
The InChIKey is ZLAIURWYNBQMPS-YBFXNURJSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-3-25-16-10-13(8-9-15(16)22)11-19-21-18(24)17(23)20-14-7-5-4-6-12(14)2/h4-11,22H,3H2,1-2H3,(H,20,23)(H,21,24)/b19-11+.
What are the key properties of N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide?
N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide has a molecular weight of 341.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(3-ethoxy-4-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)oxamide is sourced from PubChem (CID 135756956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).