N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide

C20H22N2O3 — CID 108511377

IUPACN-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-4-14-7-6-8-15(5-2)18(14)22-20(25)19(24)21-17-11-9-16(10-12-17)13(3)23/h6-12H,4-5H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyVUUKKFHBKOEYGL-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.59
Rot. Bonds5

About N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide

N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide (PubChem CID 108511377) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
PubChem CID108511377
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)Nc1ccc(C(C)=O)cc1
InChIInChI=1S/C20H22N2O3/c1-4-14-7-6-8-15(5-2)18(14)22-20(25)19(24)21-17-11-9-16(10-12-17)13(3)23/h6-12H,4-5H2,1-3H3,(H,21,24)(H,22,25)
InChIKeyVUUKKFHBKOEYGL-UHFFFAOYSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.59
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

ethyl 4-[[2-(2,6-diethylanilino)-2-oxoacetyl]amino]benzoate
CID 108500021
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
N'-(2,6-diethylphenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108511474
N-(4-acetylphenyl)-2-(2-ethyl-6-methylanilino)acetamide
CID 109007782
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108514837
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
N-(4-acetylphenyl)-N'-(2-ethylphenyl)propanediamide
CID 108953959
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108511487

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide (CID 108511377) is N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide is CCc1cccc(CC)c1NC(=O)C(=O)Nc1ccc(C(C)=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide?
The InChIKey is VUUKKFHBKOEYGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-14-7-6-8-15(5-2)18(14)22-20(25)19(24)21-17-11-9-16(10-12-17)13(3)23/h6-12H,4-5H2,1-3H3,(H,21,24)(H,22,25).
What are the key properties of N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide?
N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide has a molecular weight of 338.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide is sourced from PubChem (CID 108511377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).