N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide

C16H15N3O5 — CID 45000518

IUPACN'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O5/c1-10-7-8-14(24-2)12(9-10)18-16(21)15(20)17-11-5-3-4-6-13(11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyPPDIZNRPZGRLIC-UHFFFAOYSA-N
MW329.31 g/mol
LogP2.49
Rot. Bonds4

About N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide

N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide (PubChem CID 45000518) has the molecular formula C16H15N3O5 and a molecular weight of 329.31 g/mol. Its IUPAC name is N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
PubChem CID45000518
Molecular FormulaC16H15N3O5
Molecular Weight329.31 g/mol
Exact Mass329.10
IUPAC NameN'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide
SMILESCOc1ccc(C)cc1NC(=O)C(=O)Nc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15N3O5/c1-10-7-8-14(24-2)12(9-10)18-16(21)15(20)17-11-5-3-4-6-13(11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyPPDIZNRPZGRLIC-UHFFFAOYSA-N
XLogP2.49
TPSA110.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 8765919
N-(2,3-dimethylphenyl)-N'-(2-methoxy-5-methylphenyl)oxamide
CID 44996651
2,3,4-trifluoro-N-(2-methoxy-5-methylphenyl)-5-nitrobenzamide
CID 110317075
N-(2-methoxy-5-methylphenyl)-2-nitroacetamide
CID 21322087
N'-(2-methoxy-5-methylphenyl)-N-pyridin-2-yloxamide
CID 44999243
N-(2-methoxyphenyl)-N'-[(2-nitrophenyl)methylideneamino]oxamide
CID 5108255
1-methoxy-3-(2-nitrophenyl)urea
CID 5118632
2,3,4-trimethoxy-N-(2-nitrophenyl)benzamide
CID 38112763
(2S)-2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)-2-phenylacetamide
CID 9345172
N-[2-methoxy-2-(2-methoxyphenyl)ethyl]-N'-(2-nitrophenyl)oxamide
CID 90598230

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide?
The IUPAC name of N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide (CID 45000518) is N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide.
What is the SMILES notation for N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide?
The canonical SMILES for N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide is COc1ccc(C)cc1NC(=O)C(=O)Nc1ccccc1[N+](=O)[O-].
What is the InChIKey of N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide?
The InChIKey is PPDIZNRPZGRLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5/c1-10-7-8-14(24-2)12(9-10)18-16(21)15(20)17-11-5-3-4-6-13(11)19(22)23/h3-9H,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide?
N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide has a molecular weight of 329.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-5-methylphenyl)-N-(2-nitrophenyl)oxamide is sourced from PubChem (CID 45000518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).