N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide

C24H24N2O2 — CID 108523708

IUPACN',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24N2O2/c1-18-10-9-11-19(2)22(18)25-23(27)24(28)26(16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3,(H,25,27)
InChIKeyREXFZALIXDLOGC-UHFFFAOYSA-N
MW372.47 g/mol
LogP4.47
Rot. Bonds5

About N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide

N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide (PubChem CID 108523708) has the molecular formula C24H24N2O2 and a molecular weight of 372.47 g/mol. Its IUPAC name is N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide.

Molecular Properties

Compound NameN',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
PubChem CID108523708
Molecular FormulaC24H24N2O2
Molecular Weight372.47 g/mol
Exact Mass372.18
IUPAC NameN',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H24N2O2/c1-18-10-9-11-19(2)22(18)25-23(27)24(28)26(16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3,(H,25,27)
InChIKeyREXFZALIXDLOGC-UHFFFAOYSA-N
XLogP4.47
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 54.47
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

N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509538
1,1-dibenzyl-3-(2-ethyl-6-methylphenyl)urea
CID 3835143
N,N'-bis(2,6-dimethylphenyl)oxamide
CID 3764178
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
CID 108500761
N',N'-dibenzyl-N-(3-methoxyphenyl)oxamide
CID 108519571
N',N'-dibenzyl-N-(2-methylpropyl)oxamide
CID 108504849
N'-tert-butyl-N-(2,6-dimethylphenyl)-N'-ethyloxamide
CID 108531366
N-(2-ethyl-6-methylphenyl)-N',N'-dipropyloxamide
CID 108512105
N-benzyl-2-(2,6-dimethylanilino)-N-(2-hydroxyethyl)acetamide
CID 111565385
benzyl-[1-(2,6-dimethylanilino)-1-oxo-3-phenylpropan-2-yl]carbamic acid
CID 67942795
(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
CID 9221814

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide?
The IUPAC name of N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide (CID 108523708) is N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide.
What is the SMILES notation for N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide?
The canonical SMILES for N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide is Cc1cccc(C)c1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide?
The InChIKey is REXFZALIXDLOGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2/c1-18-10-9-11-19(2)22(18)25-23(27)24(28)26(16-20-12-5-3-6-13-20)17-21-14-7-4-8-15-21/h3-15H,16-17H2,1-2H3,(H,25,27).
What are the key properties of N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide?
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide has a molecular weight of 372.47 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide is sourced from PubChem (CID 108523708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).