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

C15H22N4O3 — CID 44997030

IUPACN-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N4O3/c1-3-22-13-6-4-12(5-7-13)16-14(20)15(21)17-19-10-8-18(2)9-11-19/h4-7H,3,8-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyMEPGNMMFQAMQJU-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.30
Rot. Bonds4

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

N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 44997030) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID44997030
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCCOc1ccc(NC(=O)C(=O)NN2CCN(C)CC2)cc1
InChIInChI=1S/C15H22N4O3/c1-3-22-13-6-4-12(5-7-13)16-14(20)15(21)17-19-10-8-18(2)9-11-19/h4-7H,3,8-11H2,1-2H3,(H,16,20)(H,17,21)
InChIKeyMEPGNMMFQAMQJU-UHFFFAOYSA-N
XLogP0.30
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44995872
N'-(4-methylpiperazin-1-yl)-N-(4-phenoxyphenyl)oxamide
CID 108511717
N'-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethoxy)phenyl]oxamide
CID 44999026
N-(4-butylphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 108502545
N'-(4-methylpiperazin-1-yl)-N-(4-sulfamoylphenyl)oxamide
CID 108508857
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
N-(4-ethoxyphenyl)-2-hydrazinyl-2-oxoacetamide
CID 17349896
2-(4-acetylpiperazin-1-yl)-N-(4-ethoxyphenyl)-2-oxoacetamide
CID 108508300
N-(4-acetylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514413
1-(4-ethoxyphenyl)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]thiourea
CID 25238406
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
N-(4-carbamoylphenyl)-N'-(4-ethoxyphenyl)oxamide
CID 45001359

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (CID 44997030) is N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is CCOc1ccc(NC(=O)C(=O)NN2CCN(C)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is MEPGNMMFQAMQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-22-13-6-4-12(5-7-13)16-14(20)15(21)17-19-10-8-18(2)9-11-19/h4-7H,3,8-11H2,1-2H3,(H,16,20)(H,17,21).
What are the key properties of N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide has a molecular weight of 306.37 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 44997030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).