2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

C20H28N4O4 — CID 46549067

IUPAC2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCOc1ccc(C2CCCN2CC(=O)NN2C(=O)NC(C)(CC)C2=O)cc1
InChIInChI=1S/C20H28N4O4/c1-4-20(3)18(26)24(19(27)21-20)22-17(25)13-23-12-6-7-16(23)14-8-10-15(11-9-14)28-5-2/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,27)(H,22,25)
InChIKeyUCGBDGAIOKARTG-UHFFFAOYSA-N
MW388.47 g/mol
LogP1.97
Rot. Bonds7

About 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide

2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 46549067) has the molecular formula C20H28N4O4 and a molecular weight of 388.47 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID46549067
Molecular FormulaC20H28N4O4
Molecular Weight388.47 g/mol
Exact Mass388.21
IUPAC Name2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCCOc1ccc(C2CCCN2CC(=O)NN2C(=O)NC(C)(CC)C2=O)cc1
InChIInChI=1S/C20H28N4O4/c1-4-20(3)18(26)24(19(27)21-20)22-17(25)13-23-12-6-7-16(23)14-8-10-15(11-9-14)28-5-2/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,27)(H,22,25)
InChIKeyUCGBDGAIOKARTG-UHFFFAOYSA-N
XLogP1.97
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[4-(3-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55445627
N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-2-[2-(2-methylphenyl)pyrrolidin-1-yl]acetamide
CID 55828676
N-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-[(2R)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 51984005
2-[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-(2-methylphenyl)ethyl]acetamide
CID 98483129
3-[[(2S)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-8-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9324578
N-cyclopentyl-2-[[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 46615258
1-(2,6-dimethylpiperidin-1-yl)-2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 47014126
3-[[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 25434545
2-[(2R)-2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(3-sulfamoylphenyl)acetamide
CID 26671200
tert-butyl N-[1-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperidin-4-yl]carbamate
CID 51729430
2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-propylacetamide
CID 47117656
N-cyclopropyl-2-[4-[2-[[(4R)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30737456

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 46549067) is 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is CCOc1ccc(C2CCCN2CC(=O)NN2C(=O)NC(C)(CC)C2=O)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is UCGBDGAIOKARTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O4/c1-4-20(3)18(26)24(19(27)21-20)22-17(25)13-23-12-6-7-16(23)14-8-10-15(11-9-14)28-5-2/h8-11,16H,4-7,12-13H2,1-3H3,(H,21,27)(H,22,25).
What are the key properties of 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 388.47 g/mol, XLogP of 1.97, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-N-(4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 46549067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).