N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide

C20H25N3O2 — CID 108511487

IUPACN'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-5-14-9-7-10-15(6-2)18(14)22-20(25)19(24)21-16-11-8-12-17(13-16)23(3)4/h7-13H,5-6H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyDFTDKXFBBQPZFH-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.45
Rot. Bonds5

About N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide

N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide (PubChem CID 108511487) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
PubChem CID108511487
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)Nc1cccc(N(C)C)c1
InChIInChI=1S/C20H25N3O2/c1-5-14-9-7-10-15(6-2)18(14)22-20(25)19(24)21-16-11-8-12-17(13-16)23(3)4/h7-13H,5-6H2,1-4H3,(H,21,24)(H,22,25)
InChIKeyDFTDKXFBBQPZFH-UHFFFAOYSA-N
XLogP3.45
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.45
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'-(2,6-diethylphenyl)-N-[4-(dimethylamino)phenyl]oxamide
CID 108511474
N-(3-bromophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511493
[3-(dimethylamino)phenyl]carbamic acid
CID 91129511
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N'-[3-(dimethylamino)phenyl]-N-pentyloxamide
CID 108521710
N-[2-(diethylamino)ethyl]-N'-[3-(dimethylamino)phenyl]oxamide
CID 108522203
N-(4-anilinophenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511452
N-[3-(dimethylamino)phenyl]-N'-(2-fluorophenyl)oxamide
CID 108520830
N'-[3,5-bis(trifluoromethyl)phenyl]-N-[3-(dimethylamino)phenyl]oxamide
CID 108529062
2-(4-acetylpiperazin-1-yl)-N-[3-(dimethylamino)phenyl]-2-oxoacetamide
CID 108508411
N-(4-acetylphenyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511377
N-[3-[[3-(dimethylamino)phenyl]carbamoylamino]phenyl]acetamide
CID 108884172

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide (CID 108511487) is N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide is CCc1cccc(CC)c1NC(=O)C(=O)Nc1cccc(N(C)C)c1.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide?
The InChIKey is DFTDKXFBBQPZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-5-14-9-7-10-15(6-2)18(14)22-20(25)19(24)21-16-11-8-12-17(13-16)23(3)4/h7-13H,5-6H2,1-4H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide?
N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide has a molecular weight of 339.44 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-[3-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108511487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).