N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide

C18H27N3O3 — CID 108510982

IUPACN-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H27N3O3/c1-3-15-4-6-16(7-5-15)14(2)19-17(23)18(24)21-10-8-20(9-11-21)12-13-22/h4-7,14,22H,3,8-13H2,1-2H3,(H,19,23)
InChIKeyOVQVAUKOASASLG-UHFFFAOYSA-N
MW333.43 g/mol
LogP0.56
Rot. Bonds5

About N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide

N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide (PubChem CID 108510982) has the molecular formula C18H27N3O3 and a molecular weight of 333.43 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
PubChem CID108510982
Molecular FormulaC18H27N3O3
Molecular Weight333.43 g/mol
Exact Mass333.21
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)N2CCN(CCO)CC2)cc1
InChIInChI=1S/C18H27N3O3/c1-3-15-4-6-16(7-5-15)14(2)19-17(23)18(24)21-10-8-20(9-11-21)12-13-22/h4-7,14,22H,3,8-13H2,1-2H3,(H,19,23)
InChIKeyOVQVAUKOASASLG-UHFFFAOYSA-N
XLogP0.56
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-acetylpiperazin-1-yl)-N-[1-(4-ethylphenyl)ethyl]-2-oxoacetamide
CID 108508281
N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 108510968
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
CID 86999696
2-[4-(2-hydroxyethyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-2-oxoacetamide
CID 108508178
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
N-[1-(4-ethylphenyl)ethyl]-4-(2-morpholin-4-ylacetyl)piperazine-1-carboxamide
CID 86916143
N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108511024
2-oxo-2-(4-prop-2-enyl-1,4-diazepan-1-yl)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 167983630
[4-(2-hydroxyethyl)piperazin-1-yl]-(4-propan-2-ylphenyl)methanone chloride
CID 53312695
1-(1-cyclopropylethyl)-3-[1-(4-ethylphenyl)ethyl]-1-methylurea
CID 86812581
N-(4-tert-butylphenyl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108522878

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide (CID 108510982) is N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide is CCc1ccc(C(C)NC(=O)C(=O)N2CCN(CCO)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
The InChIKey is OVQVAUKOASASLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O3/c1-3-15-4-6-16(7-5-15)14(2)19-17(23)18(24)21-10-8-20(9-11-21)12-13-22/h4-7,14,22H,3,8-13H2,1-2H3,(H,19,23).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide?
N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide has a molecular weight of 333.43 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide is sourced from PubChem (CID 108510982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).