N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide

C20H23N3O3 — CID 108514837

IUPACN-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)18-12-10-17(11-13-18)22-20(26)19(25)21-16-8-6-15(7-9-16)14(3)24/h6-13H,4-5H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyJDLRASYFMFOOMT-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.31
Rot. Bonds6

About N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide

N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide (PubChem CID 108514837) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
PubChem CID108514837
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide
SMILESCCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)cc1
InChIInChI=1S/C20H23N3O3/c1-4-23(5-2)18-12-10-17(11-13-18)22-20(26)19(25)21-16-8-6-15(7-9-16)14(3)24/h6-13H,4-5H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyJDLRASYFMFOOMT-UHFFFAOYSA-N
XLogP3.31
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-(4-acetylphenyl)-N'-[4-(diethylamino)-2-methylphenyl]oxamide
CID 108514878
N'-(3-acetylphenyl)-N-[4-(diethylamino)phenyl]oxamide
CID 108515024
N-[4-(diethylamino)phenyl]-N'-(4-fluorophenyl)oxamide
CID 108512632
N'-(4-acetylphenyl)-N-ethyloxamide
CID 108514755
N-(4-acetylphenyl)-2-(diethylamino)-2-sulfanylideneacetamide
CID 3329908
N-[4-(diethylamino)phenyl]-N'-(4-sulfamoylphenyl)oxamide
CID 108508799
N-(2-chloroethyl)-N'-[4-(diethylamino)phenyl]oxamide
CID 108513980
N-(4-acetylphenyl)-3-(N-ethyl-4-fluoroanilino)propanamide
CID 56525325
N-(4-acetamidophenyl)-N'-[4-(diethylamino)phenyl]propanediamide
CID 108956266
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
N-(4-acetylphenyl)-N'-(4-chlorophenyl)oxamide
CID 108514724
1-[4-[2-(dimethylamino)ethyl-ethylamino]phenyl]ethanone
CID 123268766

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide?
The IUPAC name of N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide (CID 108514837) is N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide.
What is the SMILES notation for N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide?
The canonical SMILES for N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide is CCN(CC)c1ccc(NC(=O)C(=O)Nc2ccc(C(C)=O)cc2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide?
The InChIKey is JDLRASYFMFOOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-23(5-2)18-12-10-17(11-13-18)22-20(26)19(25)21-16-8-6-15(7-9-16)14(3)24/h6-13H,4-5H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide?
N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide has a molecular weight of 353.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-N'-[4-(diethylamino)phenyl]oxamide is sourced from PubChem (CID 108514837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).