N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide

C17H16N2O3 — CID 99702239

IUPACN'-(4-acetyl-3-methylphenyl)-N-phenyloxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C17H16N2O3/c1-11-10-14(8-9-15(11)12(2)20)19-17(22)16(21)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyARYHWXGANUNCKR-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.77
Rot. Bonds3

About N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide

N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide (PubChem CID 99702239) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide.

Molecular Properties

Compound NameN'-(4-acetyl-3-methylphenyl)-N-phenyloxamide
PubChem CID99702239
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC NameN'-(4-acetyl-3-methylphenyl)-N-phenyloxamide
SMILESCC(=O)c1ccc(NC(=O)C(=O)Nc2ccccc2)cc1C
InChIInChI=1S/C17H16N2O3/c1-11-10-14(8-9-15(11)12(2)20)19-17(22)16(21)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21)(H,19,22)
InChIKeyARYHWXGANUNCKR-UHFFFAOYSA-N
XLogP2.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
N'-(3-acetamidophenyl)-N-phenyloxamide
CID 45001278
1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97063566
N-(4-acetyl-3-methylphenyl)-2-phenoxyacetamide;methane
CID 160894365
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
N-(4-acetyl-3-methylphenyl)quinoline-2-carboxamide;methane
CID 161338496
N'-(3,5-dimethylphenyl)-N-phenyloxamide
CID 44996455
4-[(4-acetyl-3-methylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088165
1-[2-methyl-4-(4-phenylphenyl)phenyl]ethanone
CID 20716213
3-methyl-N-phenylnaphthalene-2-carboxamide
CID 90742280
4-acetyl-N-phenylnaphthalene-1-carboxamide
CID 70204412
1-(4-acetyl-3-methylphenyl)ethanone;1-(4-acetylphenyl)ethanone
CID 54481190

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide?
The IUPAC name of N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide (CID 99702239) is N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide.
What is the SMILES notation for N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide?
The canonical SMILES for N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide is CC(=O)c1ccc(NC(=O)C(=O)Nc2ccccc2)cc1C.
What is the InChIKey of N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide?
The InChIKey is ARYHWXGANUNCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-11-10-14(8-9-15(11)12(2)20)19-17(22)16(21)18-13-6-4-3-5-7-13/h3-10H,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide?
N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide has a molecular weight of 296.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide is sourced from PubChem (CID 99702239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).