N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide

C18H19N3O3 — CID 3318922

IUPACN-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC)cc1
InChIInChI=1S/C18H19N3O3/c1-3-14-6-4-5-7-16(14)20-17(22)18(23)21-19-12-13-8-10-15(24-2)11-9-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPEUTVPIZLDPGMM-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.35
Rot. Bonds5

About N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide

N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide (PubChem CID 3318922) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
PubChem CID3318922
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC NameN-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC)cc1
InChIInChI=1S/C18H19N3O3/c1-3-14-6-4-5-7-16(14)20-17(22)18(23)21-19-12-13-8-10-15(24-2)11-9-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyPEUTVPIZLDPGMM-UHFFFAOYSA-N
XLogP2.35
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.35
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-ethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988931
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N'-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8900433
N'-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 8901090
N-(2-ethylphenyl)-N'-[(Z)-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenyl]methylideneamino]oxamide
CID 126267880
N-(2,3-dimethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4620336
N'-[(Z)-[4-[2-(2,3-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265471
N-(2,3-dichlorophenyl)-N'-[(Z)-[4-[2-(2-ethylanilino)-2-oxoethoxy]phenyl]methylideneamino]oxamide
CID 126276766
N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19661771
N'-[(Z)-[4-[2-(2,4-dichloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-(2-ethylphenyl)oxamide
CID 126265333
N-(2,4-dimethoxyphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 4559899

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide (CID 3318922) is N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide is CCc1ccccc1NC(=O)C(=O)NN=Cc1ccc(OC)cc1.
What is the InChIKey of N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide?
The InChIKey is PEUTVPIZLDPGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-3-14-6-4-5-7-16(14)20-17(22)18(23)21-19-12-13-8-10-15(24-2)11-9-13/h4-12H,3H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide?
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide has a molecular weight of 325.37 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide is sourced from PubChem (CID 3318922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).