N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide

C15H22N4O3 — CID 45000656

IUPACN-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C15H22N4O3/c1-3-22-13-7-5-4-6-12(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)
InChIKeyQNLBZBRBTZWJTM-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.30
Rot. Bonds4

About N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide

N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (PubChem CID 45000656) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
PubChem CID45000656
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC NameN-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
SMILESCCOc1ccccc1NC(=O)C(=O)NN1CCN(C)CC1
InChIInChI=1S/C15H22N4O3/c1-3-22-13-7-5-4-6-12(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)
InChIKeyQNLBZBRBTZWJTM-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-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide
CID 44997030
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-N'-(2-ethoxyphenyl)oxamide
CID 43996750
N-cyclohexyl-N'-(2-ethoxyphenyl)oxamide
CID 7585382
N'-(2-ethoxyphenyl)-N-(4-iodophenyl)oxamide
CID 108531107
N-(2-ethoxyphenyl)-N',N'-dipropyloxamide
CID 108528706
N-[4-(dimethylamino)phenyl]-N'-(2-ethoxyphenyl)oxamide
CID 45001237
N-(2-ethoxyphenyl)-3-(4-ethylpiperazin-1-yl)propanamide
CID 109017715
(E)-2,3-dichloro-4-(2-ethoxyanilino)-4-oxobut-2-enoic acid
CID 852528
4-cyclopropylidene-N-(2-ethoxyphenyl)piperidine-1-carboxamide
CID 121187160
N'-(2-ethoxyphenyl)-N-(2-phenylethyl)oxamide
CID 2274023
N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)acetamide
CID 6469217
N-(2-ethoxyphenyl)-N'-(1H-1,2,4-triazol-5-yl)oxamide
CID 108529879

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The IUPAC name of N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide (CID 45000656) is N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is CCOc1ccccc1NC(=O)C(=O)NN1CCN(C)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
The InChIKey is QNLBZBRBTZWJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-3-22-13-7-5-4-6-12(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-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide?
N-(2-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-(2-ethoxyphenyl)-N'-(4-methylpiperazin-1-yl)oxamide is sourced from PubChem (CID 45000656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).