2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide

C22H24N4O4 — CID 7300104

IUPAC2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C22H24N4O4/c1-2-13-23-20(29)24-18(27)15-26-19(28)22(25-21(26)30,17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,25,30)(H2,23,24,27,29)/t22-/m1/s1
InChIKeyLIGQVVJKINMUOA-JOCHJYFZSA-N
MW408.46 g/mol
LogP1.91
Rot. Bonds7

About 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide

2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide (PubChem CID 7300104) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
PubChem CID7300104
Molecular FormulaC22H24N4O4
Molecular Weight408.46 g/mol
Exact Mass408.18
IUPAC Name2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide
SMILESCCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O
InChIInChI=1S/C22H24N4O4/c1-2-13-23-20(29)24-18(27)15-26-19(28)22(25-21(26)30,17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,25,30)(H2,23,24,27,29)/t22-/m1/s1
InChIKeyLIGQVVJKINMUOA-JOCHJYFZSA-N
XLogP1.91
TPSA107.61 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361
2-(4-butyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(2-methoxyethylcarbamoyl)acetamide
CID 55326771
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-methoxypropyl)acetamide
CID 7637595
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 41152635
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7637654
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 16545157
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(4-methylcyclohexyl)acetamide
CID 7300103
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,5-dimethylphenyl)acetamide
CID 40965115
N-(tert-butylcarbamoyl)-2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]acetamide
CID 7242674
N-(butylcarbamoyl)-2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55412036
(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7637677

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The IUPAC name of 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide (CID 7300104) is 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide.
What is the SMILES notation for 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The canonical SMILES for 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide is CCCNC(=O)NC(=O)CN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O.
What is the InChIKey of 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
The InChIKey is LIGQVVJKINMUOA-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-2-13-23-20(29)24-18(27)15-26-19(28)22(25-21(26)30,17-11-7-4-8-12-17)14-16-9-5-3-6-10-16/h3-12H,2,13-15H2,1H3,(H,25,30)(H2,23,24,27,29)/t22-/m1/s1.
What are the key properties of 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide?
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide has a molecular weight of 408.46 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(propylcarbamoyl)acetamide is sourced from PubChem (CID 7300104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).