2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide

C21H21N3O5 — CID 8597541

IUPAC2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)NC[C@H](C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-14(15-6-4-3-5-7-15)12-22-18(25)13-23-19(26)20(27)24(21(23)28)16-8-10-17(29-2)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyIJKPWLRHUYPDCA-AWEZNQCLSA-N
MW395.42 g/mol
LogP1.91
Rot. Bonds7

About 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide

2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide (PubChem CID 8597541) has the molecular formula C21H21N3O5 and a molecular weight of 395.42 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
PubChem CID8597541
Molecular FormulaC21H21N3O5
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide
SMILESCOc1ccc(N2C(=O)C(=O)N(CC(=O)NC[C@H](C)c3ccccc3)C2=O)cc1
InChIInChI=1S/C21H21N3O5/c1-14(15-6-4-3-5-7-15)12-22-18(25)13-23-19(26)20(27)24(21(23)28)16-8-10-17(29-2)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,22,25)/t14-/m0/s1
InChIKeyIJKPWLRHUYPDCA-AWEZNQCLSA-N
XLogP1.91
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1,2-diphenylethyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 25470678
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylpropyl)acetamide
CID 4828663
2-(4-methoxyphenyl)sulfanyl-N-(2-phenylpropyl)acetamide
CID 78687555
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 8597411
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 7491838
2-[4-ethyl-5-(4-methoxyphenyl)-1,1,3-trioxo-1,2-thiazol-2-yl]-N-[(2R)-2-phenylpropyl]acetamide
CID 93072293
methyl 2-(2,4,5-trioxo-3-phenylimidazolidin-1-yl)acetate
CID 131843957
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7491808
N-(2-ethyl-6-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7888555
N-(3-chloro-4-methylphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7491692
N-(3-chloro-4-methoxyphenyl)-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 39964401
N-[(1R)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methylpropyl]-2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 41207897

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide?
The IUPAC name of 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide (CID 8597541) is 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide is COc1ccc(N2C(=O)C(=O)N(CC(=O)NC[C@H](C)c3ccccc3)C2=O)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide?
The InChIKey is IJKPWLRHUYPDCA-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H21N3O5/c1-14(15-6-4-3-5-7-15)12-22-18(25)13-23-19(26)20(27)24(21(23)28)16-8-10-17(29-2)11-9-16/h3-11,14H,12-13H2,1-2H3,(H,22,25)/t14-/m0/s1.
What are the key properties of 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide?
2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide has a molecular weight of 395.42 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-2,4,5-trioxoimidazolidin-1-yl]-N-[(2R)-2-phenylpropyl]acetamide is sourced from PubChem (CID 8597541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).