N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide

C17H17N3O4 — CID 108513389

IUPACN'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C)c1
InChIInChI=1S/C17H17N3O4/c1-3-19(14-8-4-6-12(2)10-14)17(22)16(21)18-13-7-5-9-15(11-13)20(23)24/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyXMSNMKJDTGIKQB-UHFFFAOYSA-N
MW327.34 g/mol
LogP2.89
Rot. Bonds4

About N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide

N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide (PubChem CID 108513389) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide
PubChem CID108513389
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC NameN'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide
SMILESCCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C)c1
InChIInChI=1S/C17H17N3O4/c1-3-19(14-8-4-6-12(2)10-14)17(22)16(21)18-13-7-5-9-15(11-13)20(23)24/h4-11H,3H2,1-2H3,(H,18,21)
InChIKeyXMSNMKJDTGIKQB-UHFFFAOYSA-N
XLogP2.89
TPSA92.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
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'-ethyl-N-(2-methoxy-5-nitrophenyl)-N'-(3-methylphenyl)oxamide
CID 108532435
N'-ethyl-N'-(3-methylphenyl)-N-pyridin-3-yloxamide
CID 108526043
N'-(3,5-dimethylphenyl)-N-(3-nitrophenyl)oxamide
CID 45001006
2-(3-methyl-N-methylsulfonylanilino)-N-(3-nitrophenyl)acetamide
CID 1311836
N-ethyl-N-(3-nitrophenyl)acetamide
CID 3338972
N'-ethyl-N-(3-nitrophenyl)-N'-(2-pyridin-4-ylethyl)oxamide
CID 108513324
N-(2-amino-2-sulfanylideneethyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 61103383
N-(2-chloro-4,6-dimethylphenyl)-N'-ethyl-N'-(3-methylphenyl)oxamide
CID 108532234
N-(3-chlorophenyl)-N'-ethyl-N'-phenyloxamide
CID 108516466
2-methyl-N-(3-nitrophenyl)pent-2-enamide
CID 75895988
N'-(3-fluorophenyl)-N-(3-nitrophenyl)oxamide
CID 108513374
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(3-nitrophenyl)acetamide
CID 1252853

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide?
The IUPAC name of N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide (CID 108513389) is N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide.
What is the SMILES notation for N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide?
The canonical SMILES for N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide is CCN(C(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(C)c1.
What is the InChIKey of N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide?
The InChIKey is XMSNMKJDTGIKQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c1-3-19(14-8-4-6-12(2)10-14)17(22)16(21)18-13-7-5-9-15(11-13)20(23)24/h4-11H,3H2,1-2H3,(H,18,21).
What are the key properties of N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide?
N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide has a molecular weight of 327.34 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-methylphenyl)-N-(3-nitrophenyl)oxamide is sourced from PubChem (CID 108513389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).