N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide

C19H26N4O3 — CID 133120470

IUPACN-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
SMILESCCC[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CN1CC(=O)NC1=O
InChIInChI=1S/C19H26N4O3/c1-2-6-15-10-22(9-14-7-4-3-5-8-14)11-16(15)20-17(24)12-23-13-18(25)21-19(23)26/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,20,24)(H,21,25,26)/t15-,16-/m1/s1
InChIKeyFHBMRWHNORPLLF-HZPDHXFCSA-N
MW358.44 g/mol
LogP0.96
Rot. Bonds7

About N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide

N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide (PubChem CID 133120470) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
PubChem CID133120470
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide
SMILESCCC[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CN1CC(=O)NC1=O
InChIInChI=1S/C19H26N4O3/c1-2-6-15-10-22(9-14-7-4-3-5-8-14)11-16(15)20-17(24)12-23-13-18(25)21-19(23)26/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,20,24)(H,21,25,26)/t15-,16-/m1/s1
InChIKeyFHBMRWHNORPLLF-HZPDHXFCSA-N
XLogP0.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 50.96
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

2-(2,4-dioxoimidazolidin-1-yl)-N-[(3S,4R)-4-propyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]acetamide
CID 133114560
2-(2,5-dioxoimidazolidin-1-yl)-N-[(3R,4S)-4-propyl-1-(pyridin-4-ylmethyl)pyrrolidin-3-yl]acetamide;dihydrochloride
CID 154897661
2-methylsulfanyl-N-[(3S,4R)-4-propyl-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 133130373
bis(1-benzylimidazolidine-2,4-dione);hexanamide
CID 161337897
N-[(3S,4R)-1-[(5-acetylthiophen-3-yl)methyl]-4-propylpyrrolidin-3-yl]acetamide
CID 70746062
N-[(3S,4R)-1-[[4-(methylsulfamoyl)phenyl]methyl]-4-propylpyrrolidin-3-yl]acetamide
CID 133122299
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1R,5R,6R,7S)-7-phenyl-6-bicyclo[3.2.0]heptanyl]acetamide
CID 126417233
N-(1-benzyl-4-methylpyrrolidin-3-yl)-2-chloroacetamide
CID 131228607
1-benzyl-3-propylpiperidin-4-ol
CID 23003650
N-[1-benzyl-4-(2,2-dimethylpropanoylamino)pyrrolidin-3-yl]-2,2-dimethylpropanamide
CID 53431992
N-[(3R,4S)-1-[(3-methyl-2-pyridinyl)methyl]-4-propylpyrrolidin-3-yl]-2-methylsulfanylacetamide
CID 72839443
N-[1-benzyl-4-[(dimethylamino)methyl]pyrrolidin-3-yl]-2-cyclopentylacetamide
CID 171142033

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide (CID 133120470) is N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide is CCC[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)CN1CC(=O)NC1=O.
What is the InChIKey of N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is FHBMRWHNORPLLF-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-2-6-15-10-22(9-14-7-4-3-5-8-14)11-16(15)20-17(24)12-23-13-18(25)21-19(23)26/h3-5,7-8,15-16H,2,6,9-13H2,1H3,(H,20,24)(H,21,25,26)/t15-,16-/m1/s1.
What are the key properties of N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide?
N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 358.44 g/mol, XLogP of 0.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-1-benzyl-4-propylpyrrolidin-3-yl]-2-(2,4-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 133120470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).