N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

C21H20N4O3 — CID 2544493

IUPACN-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C21H20N4O3/c1-2-11-21(16-8-4-3-5-9-16)19(27)25(20(28)24-21)14-18(26)23-17-10-6-7-15(12-17)13-22/h3-10,12H,2,11,14H2,1H3,(H,23,26)(H,24,28)/t21-/m1/s1
InChIKeyMEMQTFOPXAYGAT-OAQYLSRUSA-N
MW376.42 g/mol
LogP2.74
Rot. Bonds6

About N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide

N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (PubChem CID 2544493) has the molecular formula C21H20N4O3 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
PubChem CID2544493
Molecular FormulaC21H20N4O3
Molecular Weight376.42 g/mol
Exact Mass376.15
IUPAC NameN-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
SMILESCCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C21H20N4O3/c1-2-11-21(16-8-4-3-5-9-16)19(27)25(20(28)24-21)14-18(26)23-17-10-6-7-15(12-17)13-22/h3-10,12H,2,11,14H2,1H3,(H,23,26)(H,24,28)/t21-/m1/s1
InChIKeyMEMQTFOPXAYGAT-OAQYLSRUSA-N
XLogP2.74
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-acetylphenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2703685
N-(3-chlorophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide
CID 2585526
N-[3-(dimethylsulfamoyl)phenyl]-2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)acetamide
CID 24658435
2-[(4S)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2082745
N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708886
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 24566026
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-(4-ethylphenyl)acetamide
CID 2585532
2-(2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl)-N-(4-phenoxyphenyl)acetamide
CID 4081516
N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180072
2-[(4R)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(3-ethylphenyl)acetamide
CID 7242663
3-[1-[2-(3-fluoroanilino)-2-oxoethyl]-2,5-dioxo-4-phenylimidazolidin-4-yl]propanoic acid
CID 16958374
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[(2R)-5-methylhexan-2-yl]acetamide
CID 8572588

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide (CID 2544493) is N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O.
What is the InChIKey of N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
The InChIKey is MEMQTFOPXAYGAT-OAQYLSRUSA-N. The full InChI is InChI=1S/C21H20N4O3/c1-2-11-21(16-8-4-3-5-9-16)19(27)25(20(28)24-21)14-18(26)23-17-10-6-7-15(12-17)13-22/h3-10,12H,2,11,14H2,1H3,(H,23,26)(H,24,28)/t21-/m1/s1.
What are the key properties of N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide?
N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2544493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).