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

C22H34N4O2 — CID 8773212

IUPAC2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CCN(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)
InChIKeyQZOCISVSMWJVFE-UHFFFAOYSA-N
MW386.54 g/mol
LogP2.23
Rot. Bonds9

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

2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 8773212) has the molecular formula C22H34N4O2 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID8773212
Molecular FormulaC22H34N4O2
Molecular Weight386.54 g/mol
Exact Mass386.27
IUPAC Name2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CN1CCN(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)
InChIKeyQZOCISVSMWJVFE-UHFFFAOYSA-N
XLogP2.23
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazine-1,4-diium-1-yl]-N-(2-ethylphenyl)acetamide
CID 8773211
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-methylphenyl)acetamide
CID 9436502
N-(2-ethylphenyl)-2-[4-[2-[methyl-[2-oxo-2-(propylamino)ethyl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 8773380
N-(2-ethylphenyl)-2-[4-[2-(2-methoxyanilino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 9436558
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-2-piperidin-1-ylacetamide
CID 8894535
N-(2-ethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 6469187
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
N-(2-ethylphenyl)-2-[4-[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl]piperazin-1-yl]acetamide
CID 8795402
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 78827991
2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2-phenylethyl)acetamide
CID 9436562
N-(2-chlorophenyl)-2-[4-[2-(dipropylamino)-2-oxoethyl]piperazin-1-yl]acetamide
CID 8800132

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 8773212) is 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is C=C(C)CN(CC)C(=O)CN1CCN(CC(=O)Nc2ccccc2CC)CC1.
What is the InChIKey of 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is QZOCISVSMWJVFE-UHFFFAOYSA-N. 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).
What are the key properties of 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 386.54 g/mol, XLogP of 2.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 8773212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).