N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide

C24H25N3O2 — CID 108523637

IUPACN',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)22-15-13-21(14-16-22)25-23(28)24(29)27(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,17-18H2,1-2H3,(H,25,28)
InChIKeyHNMZSBUVWGAJGR-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.92
Rot. Bonds6

About N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide

N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide (PubChem CID 108523637) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide.

Molecular Properties

Compound NameN',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
PubChem CID108523637
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
SMILESCN(C)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C24H25N3O2/c1-26(2)22-15-13-21(14-16-22)25-23(28)24(29)27(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,17-18H2,1-2H3,(H,25,28)
InChIKeyHNMZSBUVWGAJGR-UHFFFAOYSA-N
XLogP3.92
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
4-N-benzyl-1-N-[4-(dimethylamino)phenyl]-4-N-methylbenzene-1,4-dicarboxamide
CID 109047140
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
N'-benzyl-N'-(furan-2-ylmethyl)-N-phenyloxamide
CID 75493351
N',N'-dibenzyl-N-(4-hydroxy-2-methylphenyl)oxamide
CID 108509538
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
N',N'-dibenzyl-N-(2,6-dimethylphenyl)oxamide
CID 108523708
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423
N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
CID 108523235

Frequently Asked Questions

What is the IUPAC name of N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide?
The IUPAC name of N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide (CID 108523637) is N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide.
What is the SMILES notation for N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide?
The canonical SMILES for N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide is CN(C)c1ccc(NC(=O)C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide?
The InChIKey is HNMZSBUVWGAJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-26(2)22-15-13-21(14-16-22)25-23(28)24(29)27(17-19-9-5-3-6-10-19)18-20-11-7-4-8-12-20/h3-16H,17-18H2,1-2H3,(H,25,28).
What are the key properties of N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide?
N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide has a molecular weight of 387.48 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide is sourced from PubChem (CID 108523637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).