N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide

C18H19N3O3 — CID 4620336

IUPACN-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(C=NNC(=O)C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C18H19N3O3/c1-12-5-4-6-16(13(12)2)20-17(22)18(23)21-19-11-14-7-9-15(24-3)10-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyPPNCVTGNJVUZCC-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.40
Rot. Bonds4

About N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide

N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide (PubChem CID 4620336) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
PubChem CID4620336
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
SMILESCOc1ccc(C=NNC(=O)C(=O)Nc2cccc(C)c2C)cc1
InChIInChI=1S/C18H19N3O3/c1-12-5-4-6-16(13(12)2)20-17(22)18(23)21-19-11-14-7-9-15(24-3)10-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23)
InChIKeyPPNCVTGNJVUZCC-UHFFFAOYSA-N
XLogP2.40
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propan-2-yloxyphenyl)methylideneamino]oxamide
CID 8899667
methyl 4-[[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]benzoate
CID 3877148
N-(2,3-dimethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988908
2-[4-[(Z)-[[2-(2,3-dimethylanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 8989747
N'-(2,3-dimethylphenyl)-N-(4-methoxyphenyl)oxamide
CID 44995875
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-methylphenyl)oxamide
CID 126167618
N-(4-chloro-2-methylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3969942
N'-[(Z)-[4-(2-amino-2-oxoethoxy)-3-methoxyphenyl]methylideneamino]-N-(2,3-dimethylphenyl)oxamide
CID 8990286
N'-[(Z)-[4-[2-(2,3-dimethylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(4-fluorophenyl)oxamide
CID 126268895
N-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899
N'-[(Z)-[4-[2-(2-methylanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-methylphenyl)oxamide
CID 126181865

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide (CID 4620336) is N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide is COc1ccc(C=NNC(=O)C(=O)Nc2cccc(C)c2C)cc1.
What is the InChIKey of N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is PPNCVTGNJVUZCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-5-4-6-16(13(12)2)20-17(22)18(23)21-19-11-14-7-9-15(24-3)10-8-14/h4-11H,1-3H3,(H,20,22)(H,21,23).
What are the key properties of N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide?
N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 325.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 4620336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).