2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

C24H28FN3O3 — CID 2113805

IUPAC2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C24H28FN3O3/c1-23(2,3)17-7-9-18(10-8-17)24(4)21(30)28(22(31)27-24)15-20(29)26-14-13-16-5-11-19(25)12-6-16/h5-12H,13-15H2,1-4H3,(H,26,29)(H,27,31)/t24-/m0/s1
InChIKeyJDQKOBJFAUHBTJ-DEOSSOPVSA-N
MW425.50 g/mol
LogP3.25
Rot. Bonds6

About 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide

2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (PubChem CID 2113805) has the molecular formula C24H28FN3O3 and a molecular weight of 425.50 g/mol. Its IUPAC name is 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
PubChem CID2113805
Molecular FormulaC24H28FN3O3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
SMILESCC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1
InChIInChI=1S/C24H28FN3O3/c1-23(2,3)17-7-9-18(10-8-17)24(4)21(30)28(22(31)27-24)15-20(29)26-14-13-16-5-11-19(25)12-6-16/h5-12H,13-15H2,1-4H3,(H,26,29)(H,27,31)/t24-/m0/s1
InChIKeyJDQKOBJFAUHBTJ-DEOSSOPVSA-N
XLogP3.25
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.25
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-[2-(4-aminophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide;hydrochloride
CID 119549660
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(4-fluorophenyl)acetamide
CID 2084864
2-[(4R)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-methoxyethyl)acetamide
CID 40918408
2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]acetamide
CID 46532745
2-[(4S)-4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2117097
2-[4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4264243
2-(2,5-dioxo-4,4-dipropylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7998160
N-benzyl-2-[(4R)-4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40873139
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2085043
3-[2-(4-tert-butylphenyl)-2-oxoethyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
CID 43029188
N-[2-[di(propan-2-yl)amino]ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 43044795
2-[(4R)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 2703290

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide (CID 2113805) is 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)NCCc3ccc(F)cc3)C2=O)cc1.
What is the InChIKey of 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is JDQKOBJFAUHBTJ-DEOSSOPVSA-N. The full InChI is InChI=1S/C24H28FN3O3/c1-23(2,3)17-7-9-18(10-8-17)24(4)21(30)28(22(31)27-24)15-20(29)26-14-13-16-5-11-19(25)12-6-16/h5-12H,13-15H2,1-4H3,(H,26,29)(H,27,31)/t24-/m0/s1.
What are the key properties of 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide?
2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 425.50 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-4-(4-tert-butylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 2113805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).