N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide

C18H19N3O2 — CID 4656715

IUPACN-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NN=CCc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-2-15-10-6-7-11-16(15)20-17(22)18(23)21-19-13-12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyUVTCRSATPLXFBA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds5

About N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide

N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide (PubChem CID 4656715) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide
PubChem CID4656715
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide
SMILESCCc1ccccc1NC(=O)C(=O)NN=CCc1ccccc1
InChIInChI=1S/C18H19N3O2/c1-2-15-10-6-7-11-16(15)20-17(22)18(23)21-19-13-12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,20,22)(H,21,23)
InChIKeyUVTCRSATPLXFBA-UHFFFAOYSA-N
XLogP2.53
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(2-methylphenyl)methylideneamino]oxamide
CID 8898860
N-(2-ethylphenyl)-N'-[(4-fluorophenyl)methylideneamino]oxamide
CID 4642668
N-(2-ethylphenyl)-N'-[(4-methoxyphenyl)methylideneamino]oxamide
CID 3318922
N-(2-ethylphenyl)-N'-[(E)-(3-methylthiophen-2-yl)methylideneamino]oxamide
CID 19659662
N-(2-ethylphenyl)-N'-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]oxamide
CID 19661771
N'-[(E)-(5-bromo-2-hydroxyphenyl)methylideneamino]-N-(2-ethylphenyl)oxamide
CID 135615725
N-(2-ethylphenyl)-N'-[(Z)-(4-propoxyphenyl)methylideneamino]oxamide
CID 8988931
N,N'-bis(2-benzylphenyl)oxamide
CID 2749119
N-(2-ethylphenyl)-N'-[(E)-(2-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 135554301
2-(2-ethylanilino)-2-oxoacetyl chloride
CID 87858291
N-(2-ethylphenyl)-N'-[(Z)-(4-hydroxy-3-methoxyphenyl)methylideneamino]oxamide
CID 136864574
N-(2-ethylphenyl)-N'-[(3-nitrophenyl)methylideneamino]oxamide
CID 5050166

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide?
The IUPAC name of N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide (CID 4656715) is N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide.
What is the SMILES notation for N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide?
The canonical SMILES for N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide is CCc1ccccc1NC(=O)C(=O)NN=CCc1ccccc1.
What is the InChIKey of N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide?
The InChIKey is UVTCRSATPLXFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-2-15-10-6-7-11-16(15)20-17(22)18(23)21-19-13-12-14-8-4-3-5-9-14/h3-11,13H,2,12H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide?
N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide has a molecular weight of 309.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-N'-(2-phenylethylideneamino)oxamide is sourced from PubChem (CID 4656715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).