N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide

C16H22N2O2 — CID 108510968

IUPACN-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-13-6-8-14(9-7-13)12(2)17-15(19)16(20)18-10-4-5-11-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyRDVZISMFTSUNTG-UHFFFAOYSA-N
MW274.36 g/mol
LogP2.05
Rot. Bonds3

About N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide

N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide (PubChem CID 108510968) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
PubChem CID108510968
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC NameN-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)N2CCCC2)cc1
InChIInChI=1S/C16H22N2O2/c1-3-13-6-8-14(9-7-13)12(2)17-15(19)16(20)18-10-4-5-11-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,19)
InChIKeyRDVZISMFTSUNTG-UHFFFAOYSA-N
XLogP2.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxoacetamide
CID 108510982
2-oxo-N-(1-phenylethyl)-2-piperidin-1-ylacetamide
CID 108507850
4-(2,2-dimethylpropanoyl)-N-[1-(4-ethylphenyl)ethyl]piperazine-1-carboxamide
CID 86999696
1-amino-N-[1-(4-ethylphenyl)ethyl]cyclopentane-1-carboxamide
CID 60866681
1-[1-(4-ethylphenyl)ethylcarbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122121901
N-[(1S)-1-(4-ethylphenyl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 51857370
N-butan-2-yl-2-[4-[2-[1-(4-ethylphenyl)ethylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 86923605
3-[1-(4-ethylphenyl)ethylamino]-3-oxopropanoic acid
CID 55049684
N-[1-(4-ethylphenyl)ethyl]-3-oxobutanamide
CID 54896208
2-chloro-2-(4-ethylphenyl)-1-piperidin-1-ylethanone
CID 62224274
N'-[1-(4-ethylphenyl)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108511024

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The IUPAC name of N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide (CID 108510968) is N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide.
What is the SMILES notation for N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The canonical SMILES for N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide is CCc1ccc(C(C)NC(=O)C(=O)N2CCCC2)cc1.
What is the InChIKey of N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
The InChIKey is RDVZISMFTSUNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-3-13-6-8-14(9-7-13)12(2)17-15(19)16(20)18-10-4-5-11-18/h6-9,12H,3-5,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide?
N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide has a molecular weight of 274.36 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylphenyl)ethyl]-2-oxo-2-pyrrolidin-1-ylacetamide is sourced from PubChem (CID 108510968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).