N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide

C23H22N2O2 — CID 108515457

IUPACN'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
SMILESCc1ccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H22N2O2/c1-17-13-14-21(18(2)15-17)24-22(26)23(27)25(20-11-7-4-8-12-20)16-19-9-5-3-6-10-19/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyWDGJESKQRVTZPP-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.48
Rot. Bonds4

About N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide

N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide (PubChem CID 108515457) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
PubChem CID108515457
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC NameN'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
SMILESCc1ccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C23H22N2O2/c1-17-13-14-21(18(2)15-17)24-22(26)23(27)25(20-11-7-4-8-12-20)16-19-9-5-3-6-10-19/h3-15H,16H2,1-2H3,(H,24,26)
InChIKeyWDGJESKQRVTZPP-UHFFFAOYSA-N
XLogP4.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-3-(2,4-dimethylphenyl)-1-methylurea
CID 108988864
N'-benzyl-N-(2-fluorophenyl)-N'-phenyloxamide
CID 108520821
N-[4-(diethylamino)-2-methylphenyl]-N'-ethyl-N'-phenyloxamide
CID 108518693
N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509538
N,N'-bis(2,4-dimethylphenyl)oxamide
CID 3416969
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
N'-benzyl-N-(4-chlorophenyl)-N'-phenyloxamide
CID 108516639
1-N'-benzyl-1-N-(2,4-dimethylphenyl)-1-N'-methylcyclopropane-1,1-dicarboxamide
CID 108975549
N'-benzyl-N-(2-ethoxy-4-methylphenyl)-N'-methyloxamide
CID 87039915
N-benzyl-N'-(2,4-dimethylphenyl)-2,2-dimethyl-N-propan-2-ylpropanediamide
CID 108966190
O-[2-(2,4-dimethylanilino)-2-oxoethyl] N,N-dibenzylcarbamothioate
CID 87995977
1-benzyl-3-(2,4-dimethylphenyl)-1-octadecylurea
CID 154191574

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide?
The IUPAC name of N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide (CID 108515457) is N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide.
What is the SMILES notation for N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide?
The canonical SMILES for N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide is Cc1ccc(NC(=O)C(=O)N(Cc2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide?
The InChIKey is WDGJESKQRVTZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-13-14-21(18(2)15-17)24-22(26)23(27)25(20-11-7-4-8-12-20)16-19-9-5-3-6-10-19/h3-15H,16H2,1-2H3,(H,24,26).
What are the key properties of N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide?
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide has a molecular weight of 358.44 g/mol, XLogP of 4.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide is sourced from PubChem (CID 108515457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).