N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide

C17H17N3O4 — CID 108512016

IUPACN'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c1-3-12-6-4-5-11(2)15(12)19-17(22)16(21)18-13-7-9-14(10-8-13)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKGEAVKWVDSTCMS-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.04
Rot. Bonds4

About N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide

N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide (PubChem CID 108512016) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide
PubChem CID108512016
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide
SMILESCCc1cccc(C)c1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C17H17N3O4/c1-3-12-6-4-5-11(2)15(12)19-17(22)16(21)18-13-7-9-14(10-8-13)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyKGEAVKWVDSTCMS-UHFFFAOYSA-N
XLogP3.04
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 4548648
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(2-ethyl-6-methylphenyl)-2-(4-nitrophenyl)sulfanylacetamide
CID 2553207
N-(3-bromo-4-methylphenyl)-N'-(2-ethyl-6-methylphenyl)oxamide
CID 108986918
N-(2-ethyl-6-methylphenyl)-4-nitrobenzenesulfonamide
CID 796499
(Z)-2-cyano-3-(2,6-dimethylanilino)-N-(4-nitrophenyl)prop-2-enamide
CID 108853155
N-(2-ethyl-6-methylphenyl)-2-(3-nitrophenoxy)acetamide
CID 7865149
(E)-N-(2-ethyl-6-methylphenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 874179
2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 8632294
N-(2-ethyl-6-methylphenyl)-4-[(3-nitrophenyl)sulfonylamino]benzamide
CID 112770780
2-chloro-N-(2-ethyl-6-methylphenyl)-3,5-dinitrobenzamide
CID 4633435
N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511377

Frequently Asked Questions

What is the IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide (CID 108512016) is N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide is CCc1cccc(C)c1NC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide?
The InChIKey is KGEAVKWVDSTCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-12-6-4-5-11(2)15(12)19-17(22)16(21)18-13-7-9-14(10-8-13)20(23)24/h4-10H,3H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide?
N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide has a molecular weight of 327.34 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-ethyl-6-methylphenyl)-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 108512016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).