2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

C24H38N4O3 — CID 78825795

IUPAC2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(CCO)C2CCCCC2)CC1
InChIInChI=1S/C24H38N4O3/c1-2-20-8-6-7-11-22(20)25-23(30)18-26-12-14-27(15-13-26)24(31)19-28(16-17-29)21-9-4-3-5-10-21/h6-8,11,21,29H,2-5,9-10,12-19H2,1H3,(H,25,30)
InChIKeyAGWMPNBVGHZXQP-UHFFFAOYSA-N
MW430.59 g/mol
LogP1.96
Rot. Bonds9

About 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide

2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (PubChem CID 78825795) has the molecular formula C24H38N4O3 and a molecular weight of 430.59 g/mol. Its IUPAC name is 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
PubChem CID78825795
Molecular FormulaC24H38N4O3
Molecular Weight430.59 g/mol
Exact Mass430.29
IUPAC Name2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN1CCN(C(=O)CN(CCO)C2CCCCC2)CC1
InChIInChI=1S/C24H38N4O3/c1-2-20-8-6-7-11-22(20)25-23(30)18-26-12-14-27(15-13-26)24(31)19-28(16-17-29)21-9-4-3-5-10-21/h6-8,11,21,29H,2-5,9-10,12-19H2,1H3,(H,25,30)
InChIKeyAGWMPNBVGHZXQP-UHFFFAOYSA-N
XLogP1.96
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.59
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-cyclohexylacetyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 39762859
N-(2-ethylphenyl)-2-[4-[2-[(2-methylcyclohexyl)amino]acetyl]piperazin-1-yl]acetamide
CID 112796606
(2S)-N-cyclohexyl-2-[4-[2-(2-ethylanilino)-2-oxoethyl]piperazin-1-yl]-N-methylpropanamide
CID 30622887
N-(2-ethylphenyl)-2-[4-[2-(methylamino)acetyl]piperazin-1-yl]acetamide;hydrochloride
CID 120703347
2-[4-[2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 8795277
N-(2-ethylphenyl)-2-(4-hexanoylpiperazin-1-yl)acetamide
CID 60522003
2-[4-[2-(4-benzoylpiperidin-1-yl)acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 16605926
2-[4-[2-(diethylamino)-2-oxoethyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 30969143
2-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 9022433
2-[4-(3-aminobutanoyl)piperazin-1-yl]-N-(2-ethylphenyl)acetamide
CID 119833554
N-(2-ethylphenyl)-2-[4-[2-[methyl(2-pyridin-2-ylethyl)amino]acetyl]piperazin-1-yl]acetamide
CID 112799747
N-(2-ethylphenyl)-2-[4-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]acetamide
CID 55410792

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide (CID 78825795) is 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN1CCN(C(=O)CN(CCO)C2CCCCC2)CC1.
What is the InChIKey of 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
The InChIKey is AGWMPNBVGHZXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N4O3/c1-2-20-8-6-7-11-22(20)25-23(30)18-26-12-14-27(15-13-26)24(31)19-28(16-17-29)21-9-4-3-5-10-21/h6-8,11,21,29H,2-5,9-10,12-19H2,1H3,(H,25,30).
What are the key properties of 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide?
2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide has a molecular weight of 430.59 g/mol, XLogP of 1.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[cyclohexyl(2-hydroxyethyl)amino]acetyl]piperazin-1-yl]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 78825795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).