2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

C22H25N3O3 — CID 51865412

IUPAC2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-3-16-9-11-18(12-10-16)15(2)23-20(26)14-25-21(27)19(24-22(25)28)13-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3,(H,23,26)(H,24,28)/t15-,19+/m1/s1
InChIKeyJKSOCWDIYKJXPR-BEFAXECRSA-N
MW379.46 g/mol
LogP2.59
Rot. Bonds7

About 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide

2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (PubChem CID 51865412) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
PubChem CID51865412
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide
SMILESCCc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-3-16-9-11-18(12-10-16)15(2)23-20(26)14-25-21(27)19(24-22(25)28)13-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3,(H,23,26)(H,24,28)/t15-,19+/m1/s1
InChIKeyJKSOCWDIYKJXPR-BEFAXECRSA-N
XLogP2.59
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.59
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-benzhydryl-2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2462942
2-[(4R)-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 2704316
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 29170365
2-[(4R)-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 30551491
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 51864031
2-(2,5-dioxo-3-phenylimidazolidin-1-yl)-N-[1-(4-ethylphenyl)ethyl]acetamide
CID 60519723
N-[1-(4-ethylphenyl)ethyl]-2-phenylacetamide
CID 2854113
N-[1-(4-bromophenyl)ethyl]-2-[4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 112774928
2-[2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 17447614
2-[(4R)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 29170373
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2090381
2-(4-benzyl-2,5-dioxoimidazolidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 18074733

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide (CID 51865412) is 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is CCc1ccc([C@@H](C)NC(=O)CN2C(=O)N[C@@H](Cc3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
The InChIKey is JKSOCWDIYKJXPR-BEFAXECRSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-3-16-9-11-18(12-10-16)15(2)23-20(26)14-25-21(27)19(24-22(25)28)13-17-7-5-4-6-8-17/h4-12,15,19H,3,13-14H2,1-2H3,(H,23,26)(H,24,28)/t15-,19+/m1/s1.
What are the key properties of 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide?
2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide has a molecular weight of 379.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-benzyl-2,5-dioxoimidazolidin-1-yl]-N-[(1R)-1-(4-ethylphenyl)ethyl]acetamide is sourced from PubChem (CID 51865412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).