2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide

C28H29N3O3 — CID 4877788

IUPAC2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)N2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C28H29N3O3/c1-3-21-14-16-24(17-15-21)29-25(32)20(2)31-26(33)28(30-27(31)34,18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-17,20H,3,18-19H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyJMUWJXPWYYFXCJ-UHFFFAOYSA-N
MW455.56 g/mol
LogP4.35
Rot. Bonds8

About 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide

2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide (PubChem CID 4877788) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide
PubChem CID4877788
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC Name2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)C(C)N2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C28H29N3O3/c1-3-21-14-16-24(17-15-21)29-25(32)20(2)31-26(33)28(30-27(31)34,18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-17,20H,3,18-19H2,1-2H3,(H,29,32)(H,30,34)
InChIKeyJMUWJXPWYYFXCJ-UHFFFAOYSA-N
XLogP4.35
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethylphenyl)-2-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 18886763
[(2R)-1-(4-ethylanilino)-1-oxopropan-2-yl] 2-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 7685080
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
N-(4-ethylphenyl)-2-[2-(2-phenylethylamino)anilino]propanamide
CID 4640614
(2R)-2-[(4R)-4-methyl-2,5-dioxo-4-(4-propylphenyl)imidazolidin-1-yl]-N-(4-morpholin-4-ylphenyl)propanamide
CID 41190610
3-amino-N-(4-ethylphenyl)-2-methyl-3-phenylpropanamide
CID 80546370
N-(4-ethylphenyl)-2-phenylsulfanylpropanamide
CID 2928214
N-(4-ethylphenyl)-2-phenylbutanamide
CID 2905197
N-(4-ethylphenyl)-2-phenylacetamide
CID 2684383
N-(4-ethylphenyl)-2-(4-phenylmethoxyindol-1-yl)propanamide
CID 84573039
(2S)-2-[(4R)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]-N-phenylpropanamide
CID 41155193
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide (CID 4877788) is 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)C(C)N2C(=O)NC(Cc3ccccc3)(Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide?
The InChIKey is JMUWJXPWYYFXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-3-21-14-16-24(17-15-21)29-25(32)20(2)31-26(33)28(30-27(31)34,18-22-10-6-4-7-11-22)19-23-12-8-5-9-13-23/h4-17,20H,3,18-19H2,1-2H3,(H,29,32)(H,30,34).
What are the key properties of 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide?
2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide has a molecular weight of 455.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dibenzyl-2,5-dioxoimidazolidin-1-yl)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 4877788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).