N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide

C23H25N3O5 — CID 4790489

IUPACN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(=O)NC(C)c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C23H25N3O5/c1-3-11-23(17-7-5-4-6-8-17)21(28)26(22(29)25-23)13-20(27)24-15(2)16-9-10-18-19(12-16)31-14-30-18/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyBOKJRUCRFJYSFP-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.84
Rot. Bonds7

About N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide

N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide (PubChem CID 4790489) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide
PubChem CID4790489
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide
SMILESCCCC1(c2ccccc2)NC(=O)N(CC(=O)NC(C)c2ccc3c(c2)OCO3)C1=O
InChIInChI=1S/C23H25N3O5/c1-3-11-23(17-7-5-4-6-8-17)21(28)26(22(29)25-23)13-20(27)24-15(2)16-9-10-18-19(12-16)31-14-30-18/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,24,27)(H,25,29)
InChIKeyBOKJRUCRFJYSFP-UHFFFAOYSA-N
XLogP2.84
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.84
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

N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 41210523
N-[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 7610694
N-benzhydryl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 25340413
2-[(4R)-4-(1,3-benzodioxol-5-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 92786972
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 8521761
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8572588
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(1S)-1,2-diphenylethyl]acetamide
CID 41208188
2-[[2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetyl]amino]-N-(1-phenylethyl)benzamide
CID 4842135
N-tert-butyl-2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585330
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40987505
N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40987511
N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 40987501

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide (CID 4790489) is N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide is CCCC1(c2ccccc2)NC(=O)N(CC(=O)NC(C)c2ccc3c(c2)OCO3)C1=O.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide?
The InChIKey is BOKJRUCRFJYSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c1-3-11-23(17-7-5-4-6-8-17)21(28)26(22(29)25-23)13-20(27)24-15(2)16-9-10-18-19(12-16)31-14-30-18/h4-10,12,15H,3,11,13-14H2,1-2H3,(H,24,27)(H,25,29).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide?
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide has a molecular weight of 423.47 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide is sourced from PubChem (CID 4790489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).