N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide

C26H23N3O5 — CID 2115786

IUPACN-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C26H23N3O5/c30-23(27-20-11-12-21-22(13-20)34-17-33-21)16-29-24(31)26(28-25(29)32,14-18-7-3-1-4-8-18)15-19-9-5-2-6-10-19/h1-13H,14-17H2,(H,27,30)(H,28,32)
InChIKeyIBURBXLDIAKFSJ-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.13
Rot. Bonds7

About N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide

N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 2115786) has the molecular formula C26H23N3O5 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID2115786
Molecular FormulaC26H23N3O5
Molecular Weight457.49 g/mol
Exact Mass457.16
IUPAC NameN-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESO=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2
InChIInChI=1S/C26H23N3O5/c30-23(27-20-11-12-21-22(13-20)34-17-33-21)16-29-24(31)26(28-25(29)32,14-18-7-3-1-4-8-18)15-19-9-5-2-6-10-19/h1-13H,14-17H2,(H,27,30)(H,28,32)
InChIKeyIBURBXLDIAKFSJ-UHFFFAOYSA-N
XLogP3.13
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.13
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-(1,3-benzodioxol-5-yl)-2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2369441
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 8659323
2-[4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 43013414
2-[(4R)-4-(1,3-benzodioxol-5-ylmethyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)acetamide
CID 41081003
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40957183
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2127023
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-(1,3-benzodioxol-5-yl)-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
CID 7772229
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-(2,4-dichlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2703032
N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 17402989
N-(1,3-benzodioxol-5-yl)-2-[8-(2-methylbutan-2-yl)-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 2709593
N-(1,3-benzodioxol-5-yl)-2-[(4S)-4-butyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 41071388

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 2115786) is N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide is O=C(CN1C(=O)NC(Cc2ccccc2)(Cc2ccccc2)C1=O)Nc1ccc2c(c1)OCO2.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is IBURBXLDIAKFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O5/c30-23(27-20-11-12-21-22(13-20)34-17-33-21)16-29-24(31)26(28-25(29)32,14-18-7-3-1-4-8-18)15-19-9-5-2-6-10-19/h1-13H,14-17H2,(H,27,30)(H,28,32).
What are the key properties of N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 457.49 g/mol, XLogP of 3.13, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 2115786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).