N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide

C20H24N2O2 — CID 108515358

IUPACN-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)c1C
InChIInChI=1S/C20H24N2O2/c1-13-9-8-12-16(14(13)2)21-18(23)19(24)22-17-11-7-6-10-15(17)20(3,4)5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyMSHFHCCJJSMIFH-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.18
Rot. Bonds2

About N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide

N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide (PubChem CID 108515358) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
PubChem CID108515358
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC NameN-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)c1C
InChIInChI=1S/C20H24N2O2/c1-13-9-8-12-16(14(13)2)21-18(23)19(24)22-17-11-7-6-10-15(17)20(3,4)5/h6-12H,1-5H3,(H,21,23)(H,22,24)
InChIKeyMSHFHCCJJSMIFH-UHFFFAOYSA-N
XLogP4.18
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,3-dimethylphenyl)-2,2-dimethyl-N'-[2-(trifluoromethyl)phenyl]propanediamide
CID 108968156
N-(2-tert-butylphenyl)-N'-(1-hydroxy-2-methylpropan-2-yl)oxamide
CID 108530240
2-amino-N-(2-tert-butylphenyl)-3-methylbenzamide
CID 62056774
2-(2,3-dimethylanilino)-N-(2,3-dimethylphenyl)-2-sulfanylideneacetamide
CID 3596672
N-(2,3-dimethylphenyl)-N'-pyrimidin-2-yloxamide
CID 44996588
N'-(2,3-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2223011
N'-(2,6-diethylphenyl)-N-(2,3-dimethylphenyl)oxamide
CID 108511380
N-(2-tert-butylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 47228973
N-(2-tert-butylphenyl)-N'-(2-phenylsulfanylphenyl)oxamide
CID 108515211
3-(N-acetyl-2-tert-butylanilino)-N-(2,3-dimethylphenyl)propanamide
CID 113126445
N-(2-tert-butylphenyl)-N',N'-diethyloxamide
CID 47335864
1-N-(2,3-dimethylphenyl)-2-N-[2-(trifluoromethyl)phenyl]cyclopropane-1,2-dicarboxamide
CID 109141940

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide?
The IUPAC name of N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide (CID 108515358) is N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)Nc2ccccc2C(C)(C)C)c1C.
What is the InChIKey of N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide?
The InChIKey is MSHFHCCJJSMIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-13-9-8-12-16(14(13)2)21-18(23)19(24)22-17-11-7-6-10-15(17)20(3,4)5/h6-12H,1-5H3,(H,21,23)(H,22,24).
What are the key properties of N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide?
N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide has a molecular weight of 324.42 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-N'-(2,3-dimethylphenyl)oxamide is sourced from PubChem (CID 108515358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).