N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide

C15H13N3O5 — CID 108513177

IUPACN'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide
SMILESCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C15H13N3O5/c1-17(11-6-8-13(19)9-7-11)15(21)14(20)16-10-2-4-12(5-3-10)18(22)23/h2-9,19H,1H3,(H,16,20)
InChIKeyPUAGYLACQOEAAK-UHFFFAOYSA-N
MW315.29 g/mol
LogP1.90
Rot. Bonds3

About N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide

N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide (PubChem CID 108513177) has the molecular formula C15H13N3O5 and a molecular weight of 315.29 g/mol. Its IUPAC name is N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide.

Molecular Properties

Compound NameN'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide
PubChem CID108513177
Molecular FormulaC15H13N3O5
Molecular Weight315.29 g/mol
Exact Mass315.09
IUPAC NameN'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide
SMILESCN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1
InChIInChI=1S/C15H13N3O5/c1-17(11-6-8-13(19)9-7-11)15(21)14(20)16-10-2-4-12(5-3-10)18(22)23/h2-9,19H,1H3,(H,16,20)
InChIKeyPUAGYLACQOEAAK-UHFFFAOYSA-N
XLogP1.90
TPSA112.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 51.90
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-(4-butylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108502467
N-[4-[acetyl(methyl)amino]phenyl]-4-nitrobenzamide
CID 675941
N-[4-[acetyl(methyl)amino]phenyl]-2-(4-nitrophenyl)acetamide
CID 3250699
methyl 2-(4-nitroanilino)-2-oxoacetate
CID 12778881
4-nitrophenol;propan-2-one
CID 18924338
4-nitrophenol
CID 88714583
N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108501242
N-(2,6-dimethylphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528473
4-nitrophenol;phosphane
CID 157153413
4-nitrophenol;tris(dimethylamino)sulfanium
CID 159014687
N-(2,4-difluorophenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108528497
N'-(4-hydroxyphenyl)-N'-methyl-N-(2,4,6-trimethylphenyl)oxamide
CID 108512267

Frequently Asked Questions

What is the IUPAC name of N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide?
The IUPAC name of N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide (CID 108513177) is N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide.
What is the SMILES notation for N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide?
The canonical SMILES for N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide is CN(C(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccc(O)cc1.
What is the InChIKey of N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide?
The InChIKey is PUAGYLACQOEAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O5/c1-17(11-6-8-13(19)9-7-11)15(21)14(20)16-10-2-4-12(5-3-10)18(22)23/h2-9,19H,1H3,(H,16,20).
What are the key properties of N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide?
N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide has a molecular weight of 315.29 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-hydroxyphenyl)-N'-methyl-N-(4-nitrophenyl)oxamide is sourced from PubChem (CID 108513177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).