N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide

C19H23N3O2 — CID 108523230

IUPACN'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-4-22(14-15-8-6-5-7-9-15)19(24)18(23)20-16-10-12-17(13-11-16)21(2)3/h5-13H,4,14H2,1-3H3,(H,20,23)
InChIKeyHJVIFXSFTLCCHI-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.74
Rot. Bonds5

About N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide

N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide (PubChem CID 108523230) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide.

Molecular Properties

Compound NameN'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
PubChem CID108523230
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
SMILESCCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N(C)C)cc1
InChIInChI=1S/C19H23N3O2/c1-4-22(14-15-8-6-5-7-9-15)19(24)18(23)20-16-10-12-17(13-11-16)21(2)3/h5-13H,4,14H2,1-3H3,(H,20,23)
InChIKeyHJVIFXSFTLCCHI-UHFFFAOYSA-N
XLogP2.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.74
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',N'-dibenzyl-N-[4-(dimethylamino)phenyl]oxamide
CID 108523637
N'-benzyl-N'-ethyl-N-naphthalen-2-yloxamide
CID 108523235
[4-[[2-[benzyl(ethyl)amino]-2-oxoacetyl]amino]phenyl] thiocyanate
CID 108523229
N-[[4-(dimethylamino)phenyl]methyl]-N-ethyl-4-(phenylcarbamoylamino)benzamide
CID 55437961
3-[4-[benzyl(methyl)amino]phenyl]-1,1-diethylurea
CID 60543423
N',N'-diethyl-N-phenyloxamide
CID 14925038
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
CID 108998932
N,N'-dibenzyl-N,N'-diethyloxamide
CID 3417048
N-[4-(dimethylamino)phenyl]-N'-ethyl-N'-(2-pyridin-4-ylethyl)oxamide
CID 108527350
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N'-benzyl-N-(2,5-dichlorophenyl)-N'-ethyloxamide
CID 108500995
N-(3H-benzimidazol-5-yl)-N'-benzyl-N'-ethyloxamide
CID 108523245

Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide?
The IUPAC name of N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide (CID 108523230) is N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide.
What is the SMILES notation for N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide?
The canonical SMILES for N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide is CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccc(N(C)C)cc1.
What is the InChIKey of N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide?
The InChIKey is HJVIFXSFTLCCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-22(14-15-8-6-5-7-9-15)19(24)18(23)20-16-10-12-17(13-11-16)21(2)3/h5-13H,4,14H2,1-3H3,(H,20,23).
What are the key properties of N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide?
N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide has a molecular weight of 325.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide is sourced from PubChem (CID 108523230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).