2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide

C22H36N4O2+2 — CID 8773211

IUPAC2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide
SMILESC=C(C)CN(CC)C(=O)C[NH+]1CC[NH+](CC(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C22H34N4O2/c1-5-19-9-7-8-10-20(19)23-21(27)16-24-11-13-25(14-12-24)17-22(28)26(6-2)15-18(3)4/h7-10H,3,5-6,11-17H2,1-2,4H3,(H,23,27)/p+2
InChIKeyQZOCISVSMWJVFE-UHFFFAOYSA-P
MW388.56 g/mol
LogP-0.60
Rot. Bonds9

About 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 8773211) has the molecular formula C22H36N4O2+2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID8773211
Molecular FormulaC22H36N4O2+2
Molecular Weight388.56 g/mol
Exact Mass388.28
IUPAC Name2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide
SMILESC=C(C)CN(CC)C(=O)C[NH+]1CC[NH+](CC(=O)Nc2ccccc2CC)CC1
InChIInChI=1S/C22H34N4O2/c1-5-19-9-7-8-10-20(19)23-21(27)16-24-11-13-25(14-12-24)17-22(28)26(6-2)15-18(3)4/h7-10H,3,5-6,11-17H2,1-2,4H3,(H,23,27)/p+2
InChIKeyQZOCISVSMWJVFE-UHFFFAOYSA-P
XLogP-0.60
TPSA58.29 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethylphenyl)-2-[4-(2-methylprop-2-enyl)piperazine-1,4-diium-1-yl]acetamide
CID 8773219
2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773212
2-[4-[2-[cyclohexyl(ethyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773169
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-morpholin-4-ium-4-ylacetamide
CID 8903823
N-(2-ethylphenyl)-2-[4-[2-[[(2S)-5-methylhexan-2-yl]amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 8795485
ethyl 1-[2-(2-ethylanilino)-2-oxoethyl]piperidin-1-ium-4-carboxylate
CID 8931245
N-(1,3-benzodioxol-5-yl)-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]acetamide
CID 9436533
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-(4-phenylpiperazin-1-ium-1-yl)acetamide
CID 8688394
2-[4-[2-(azocan-1-ium-1-yl)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8679883
N-(2-ethylphenyl)-2-[4-(2-phenoxyethyl)piperazine-1,4-diium-1-yl]acetamide
CID 8773213
2-(4-benzylpiperidin-1-ium-1-yl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylacetamide
CID 8904524
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 8773315

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide (CID 8773211) is 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide is C=C(C)CN(CC)C(=O)C[NH+]1CC[NH+](CC(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is QZOCISVSMWJVFE-UHFFFAOYSA-P. The full InChI is InChI=1S/C22H34N4O2/c1-5-19-9-7-8-10-20(19)23-21(27)16-24-11-13-25(14-12-24)17-22(28)26(6-2)15-18(3)4/h7-10H,3,5-6,11-17H2,1-2,4H3,(H,23,27)/p+2.
What are the key properties of 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 388.56 g/mol, XLogP of -0.60, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 8773211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).