N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide

C13H16N4O2 — CID 108519474

IUPACN'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N4O2/c1-17(2)8-7-15-12(18)13(19)16-11-5-3-10(9-14)4-6-11/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyYNFOLOYNJXLENR-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.17
Rot. Bonds4

About N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide

N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide (PubChem CID 108519474) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide.

Molecular Properties

Compound NameN'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
PubChem CID108519474
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide
SMILESCN(C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1
InChIInChI=1S/C13H16N4O2/c1-17(2)8-7-15-12(18)13(19)16-11-5-3-10(9-14)4-6-11/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19)
InChIKeyYNFOLOYNJXLENR-UHFFFAOYSA-N
XLogP0.17
TPSA85.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-cyanophenyl)-N'-[2-(dimethylamino)ethyl]-2,2-dimethylpropanediamide
CID 108960346
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 108994738
1-N-(4-cyanophenyl)-2-N-[2-(dimethylamino)ethyl]cyclopropane-1,2-dicarboxamide
CID 109133807
3-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016336
N-(4-cyanophenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185633
N'-(3-chloro-4-methylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 7585401
2-(4-cyanoanilino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252849
4-N-(4-cyanophenyl)-1-N-[3-(dimethylamino)propyl]cyclohexane-1,4-dicarboxamide
CID 109147350
N-[3-(dimethylamino)propyl]-N'-(4-nitrophenyl)oxamide
CID 7584694
4-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]piperazine-1-carboxamide
CID 14763476
N'-tert-butyl-N-(4-cyanophenyl)oxamide
CID 108506832
N'-(3-acetylphenyl)-N-[2-(dimethylamino)ethyl]oxamide
CID 108515008

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The IUPAC name of N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide (CID 108519474) is N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide.
What is the SMILES notation for N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The canonical SMILES for N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide is CN(C)CCNC(=O)C(=O)Nc1ccc(C#N)cc1.
What is the InChIKey of N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide?
The InChIKey is YNFOLOYNJXLENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-17(2)8-7-15-12(18)13(19)16-11-5-3-10(9-14)4-6-11/h3-6H,7-8H2,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide?
N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide has a molecular weight of 260.30 g/mol, XLogP of 0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyanophenyl)-N-[2-(dimethylamino)ethyl]oxamide is sourced from PubChem (CID 108519474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).