N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide

C23H22N2O3 — CID 108509538

IUPACN',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide
SMILESCc1cc(O)ccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-17-14-20(26)12-13-21(17)24-22(27)23(28)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,26H,15-16H2,1H3,(H,24,27)
InChIKeyJSGASAUJPZKEAC-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.87
Rot. Bonds5

About N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide

N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide (PubChem CID 108509538) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide.

Molecular Properties

Compound NameN',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide
PubChem CID108509538
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide
SMILESCc1cc(O)ccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C23H22N2O3/c1-17-14-20(26)12-13-21(17)24-22(27)23(28)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,26H,15-16H2,1H3,(H,24,27)
InChIKeyJSGASAUJPZKEAC-UHFFFAOYSA-N
XLogP3.87
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-N',N'-dipropyloxamide
CID 108509587
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
(Z)-2-cyano-3-(dibenzylamino)-N-(4-hydroxy-2-methylphenyl)prop-2-enamide
CID 108843352
N'-benzyl-N-(2,4-dimethylphenyl)-N'-phenyloxamide
CID 108515457
N'-benzyl-N-(4-iodo-2-methylphenyl)-N'-methyloxamide
CID 108516339
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
(2S)-2-amino-N-(4-hydroxy-2-methylphenyl)-3-phenylpropanamide
CID 78995809
N',N'-dibenzyl-N-[4-chloro-2-(trifluoromethyl)phenyl]oxamide
CID 108523701
N',N'-dibenzyl-N-(2,3-dichlorophenyl)oxamide
CID 108500761
N-(4-hydroxy-2-methylphenyl)-3-oxo-3-phenylpropanamide
CID 110465913
N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide?
The IUPAC name of N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide (CID 108509538) is N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide.
What is the SMILES notation for N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide?
The canonical SMILES for N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide is Cc1cc(O)ccc1NC(=O)C(=O)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide?
The InChIKey is JSGASAUJPZKEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17-14-20(26)12-13-21(17)24-22(27)23(28)25(15-18-8-4-2-5-9-18)16-19-10-6-3-7-11-19/h2-14,26H,15-16H2,1H3,(H,24,27).
What are the key properties of N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide?
N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide has a molecular weight of 374.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide is sourced from PubChem (CID 108509538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).