N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide

C17H26N4O2 — CID 108502545

IUPACN-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C17H26N4O2/c1-3-4-5-14-6-8-15(9-7-14)18-16(22)17(23)19-21-12-10-20(2)11-13-21/h6-9H,3-5,10-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyYFLNZOHSFOYIME-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.25
Rot. Bonds5

About N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide

N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 108502545) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID108502545
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC NameN-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCCCCc1ccc(NC(=O)C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C17H26N4O2/c1-3-4-5-14-6-8-15(9-7-14)18-16(22)17(23)19-21-12-10-20(2)11-13-21/h6-9H,3-5,10-13H2,1-2H3,(H,18,22)(H,19,23)
InChIKeyYFLNZOHSFOYIME-UHFFFAOYSA-N
XLogP1.25
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.25
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,N'-bis(4-butylphenyl)oxamide
CID 3438016
N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44997030
N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508857
2-(azepan-1-yl)-N-(4-butylphenyl)-2-oxoacetamide
CID 108502414
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
CID 108511717
N'-(4-butylphenyl)-N-pentyloxamide
CID 108502416
N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
CID 44999026
N'-(4-butylphenyl)-N-(3-morpholin-4-ylpropyl)oxamide
CID 5223166
N-(4-butylphenyl)pyrrolidine-1-carboxamide
CID 6467545
N'-(4-butylphenyl)-N-cycloheptyloxamide
CID 108502498
N-(4-dodecylphenyl)-2-methylprop-2-enamide
CID 58819798

Frequently Asked Questions

What is the IUPAC name of N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (CID 108502545) is N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is CCCCc1ccc(NC(=O)C(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is YFLNZOHSFOYIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-4-5-14-6-8-15(9-7-14)18-16(22)17(23)19-21-12-10-20(2)11-13-21/h6-9H,3-5,10-13H2,1-2H3,(H,18,22)(H,19,23).
What are the key properties of N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 318.42 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 108502545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).