N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

C17H20N4O3 — CID 2081777

IUPACN-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C17H20N4O3/c1-11(2)8-17(3)15(23)21(16(24)20-17)10-14(22)19-13-6-4-5-12(7-13)9-18/h4-7,11H,8,10H2,1-3H3,(H,19,22)(H,20,24)/t17-/m1/s1
InChIKeyGNZUMGSLUFUGAW-QGZVFWFLSA-N
MW328.37 g/mol
LogP1.85
Rot. Bonds5

About N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide

N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (PubChem CID 2081777) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
PubChem CID2081777
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
SMILESCC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O
InChIInChI=1S/C17H20N4O3/c1-11(2)8-17(3)15(23)21(16(24)20-17)10-14(22)19-13-6-4-5-12(7-13)9-18/h4-7,11H,8,10H2,1-3H3,(H,19,22)(H,20,24)/t17-/m1/s1
InChIKeyGNZUMGSLUFUGAW-QGZVFWFLSA-N
XLogP1.85
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.85
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-methoxyphenyl)-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 4306751
N-(3-cyanophenyl)-2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 2708886
N-[3-(diethylsulfamoyl)phenyl]-2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 55304406
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(4-methylphenyl)acetamide
CID 5002767
N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-naphthalen-1-yl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7180072
N-(3-fluoro-4-methylphenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2430195
N-(4-cyanophenyl)-2-[(4S)-4-methyl-4-(3-methylbutyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2084582
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4S)-4-ethyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 7793526
[(2R)-1-(3-cyanoanilino)-1-oxopropan-2-yl] 2-[(4R)-4-butyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetate
CID 9487087
2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 41144468
N-(3-cyanophenyl)-2-[(4R)-4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7561950
N-(3-cyanophenyl)-2-[4-(2,5-dimethylfuran-3-yl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 47092834

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide (CID 2081777) is N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is CC(C)C[C@@]1(C)NC(=O)N(CC(=O)Nc2cccc(C#N)c2)C1=O.
What is the InChIKey of N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
The InChIKey is GNZUMGSLUFUGAW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11(2)8-17(3)15(23)21(16(24)20-17)10-14(22)19-13-6-4-5-12(7-13)9-18/h4-7,11H,8,10H2,1-3H3,(H,19,22)(H,20,24)/t17-/m1/s1.
What are the key properties of N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide?
N-(3-cyanophenyl)-2-[(4R)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide has a molecular weight of 328.37 g/mol, XLogP of 1.85, 5 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)-4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 2081777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).