3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide

C21H30N4O3 — CID 124847936

IUPAC3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
SMILESCCN1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C21H30N4O3/c1-2-24-13-6-9-17(24)15-22-19(26)11-10-18-20(27)25(21(28)23-18)14-12-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,26)(H,23,28)/t17-,18+/m0/s1
InChIKeyLUOGLFXWLSHYLH-ZWKOTPCHSA-N
MW386.50 g/mol
LogP1.53
Rot. Bonds9

About 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide

3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide (PubChem CID 124847936) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide.

Molecular Properties

Compound Name3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
PubChem CID124847936
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide
SMILESCCN1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O
InChIInChI=1S/C21H30N4O3/c1-2-24-13-6-9-17(24)15-22-19(26)11-10-18-20(27)25(21(28)23-18)14-12-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,26)(H,23,28)/t17-,18+/m0/s1
InChIKeyLUOGLFXWLSHYLH-ZWKOTPCHSA-N
XLogP1.53
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91822594
3-[(4R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]propanamide
CID 124673723
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124673763
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-phenylpropanamide
CID 51073042
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 91638354
3-[(4S)-1-[(3,4-dimethoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(1-ethylpyrrolidin-2-yl)methyl]propanamide
CID 91639452
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-3-[(4S)-1-naphthalen-1-yl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124850987
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 124673769
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555
4-phenyl-N-[[(2R)-1-(2-phenylethyl)pyrrolidin-2-yl]methyl]butanamide
CID 11385742
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 91637016
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[1-[(E)-3-phenylprop-2-enyl]piperidin-4-yl]propanamide
CID 45219288

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide?
The IUPAC name of 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide (CID 124847936) is 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide.
What is the SMILES notation for 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide?
The canonical SMILES for 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide is CCN1CCC[C@H]1CNC(=O)CC[C@H]1NC(=O)N(CCc2ccccc2)C1=O.
What is the InChIKey of 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide?
The InChIKey is LUOGLFXWLSHYLH-ZWKOTPCHSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-2-24-13-6-9-17(24)15-22-19(26)11-10-18-20(27)25(21(28)23-18)14-12-16-7-4-3-5-8-16/h3-5,7-8,17-18H,2,6,9-15H2,1H3,(H,22,26)(H,23,28)/t17-,18+/m0/s1.
What are the key properties of 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide?
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide has a molecular weight of 386.50 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]propanamide is sourced from PubChem (CID 124847936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).