N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide

C18H19N3O4 — CID 9179776

IUPACN'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)Nc2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C18H19N3O4/c1-12-4-6-14(7-5-12)20-17(22)18(23)21-19-11-13-8-15(24-2)10-16(9-13)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11-
InChIKeyYREZXLUWYUMPKB-ODLFYWEKSA-N
MW341.37 g/mol
LogP2.10
Rot. Bonds5

About N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide

N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 9179776) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID9179776
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC NameN'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCOc1cc(/C=N\NC(=O)C(=O)Nc2ccc(C)cc2)cc(OC)c1
InChIInChI=1S/C18H19N3O4/c1-12-4-6-14(7-5-12)20-17(22)18(23)21-19-11-13-8-15(24-2)10-16(9-13)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11-
InChIKeyYREZXLUWYUMPKB-ODLFYWEKSA-N
XLogP2.10
TPSA89.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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

[3-[[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 5223092
N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8900582
N'-[(Z)-[3-[2-(4-methoxyanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126160371
N'-[(E)-(4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)oxamide
CID 135583538
N-(2,4-dimethoxyphenyl)-N'-[(4-methylphenyl)methylideneamino]oxamide
CID 4118036
N'-[(Z)-[4-(difluoromethoxy)-3,5-dimethylphenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180158
N-(4-methylphenyl)-N'-[(Z)-(3-propoxyphenyl)methylideneamino]oxamide
CID 8989208
N'-[(Z)-(3,4-difluorophenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 9180073
4-[[[2-(4-methylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 3825243
4-[(E)-[[2-(4-methoxyanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoic acid
CID 6896328
N'-[(Z)-(4-methylphenyl)methylideneamino]-N-(4-propoxyphenyl)oxamide
CID 8896208
N-(4-methylphenyl)-N'-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]oxamide
CID 3695690

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide (CID 9179776) is N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is COc1cc(/C=N\NC(=O)C(=O)Nc2ccc(C)cc2)cc(OC)c1.
What is the InChIKey of N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is YREZXLUWYUMPKB-ODLFYWEKSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-12-4-6-14(7-5-12)20-17(22)18(23)21-19-11-13-8-15(24-2)10-16(9-13)25-3/h4-11H,1-3H3,(H,20,22)(H,21,23)/b19-11-.
What are the key properties of N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 341.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-(3,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 9179776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).