2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

C19H24F3N3O4 — CID 7916875

IUPAC2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C19H24F3N3O4/c1-3-4-5-6-11-18(2)16(27)25(17(28)24-18)12-15(26)23-13-7-9-14(10-8-13)29-19(20,21)22/h7-10H,3-6,11-12H2,1-2H3,(H,23,26)(H,24,28)/t18-/m1/s1
InChIKeyGFIPWTPQQIOGTJ-GOSISDBHSA-N
MW415.41 g/mol
LogP3.80
Rot. Bonds9

About 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 7916875) has the molecular formula C19H24F3N3O4 and a molecular weight of 415.41 g/mol. Its IUPAC name is 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID7916875
Molecular FormulaC19H24F3N3O4
Molecular Weight415.41 g/mol
Exact Mass415.17
IUPAC Name2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O
InChIInChI=1S/C19H24F3N3O4/c1-3-4-5-6-11-18(2)16(27)25(17(28)24-18)12-15(26)23-13-7-9-14(10-8-13)29-19(20,21)22/h7-10H,3-6,11-12H2,1-2H3,(H,23,26)(H,24,28)/t18-/m1/s1
InChIKeyGFIPWTPQQIOGTJ-GOSISDBHSA-N
XLogP3.80
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.41
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 4810358
N-(4-ethylphenyl)-2-(4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 42964408
2-(4,4-diethyl-2,5-dioxoimidazolidin-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 3666642
2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-(4-phenylmethoxyphenyl)acetamide
CID 16545038
2-[(4R)-2,5-dioxo-4-phenyl-4-propylimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2089932
2-[(4R)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230058
2-[(4S)-4-heptyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-naphthalen-2-ylacetamide
CID 98230060
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2711300
2-[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 42964296
N-(3,4-dichlorophenyl)-2-(4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
CID 3972786
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 41167122
2-[(4R)-4-methyl-4-naphthalen-2-yl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 2459874

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 7916875) is 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is CCCCCC[C@@]1(C)NC(=O)N(CC(=O)Nc2ccc(OC(F)(F)F)cc2)C1=O.
What is the InChIKey of 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is GFIPWTPQQIOGTJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H24F3N3O4/c1-3-4-5-6-11-18(2)16(27)25(17(28)24-18)12-15(26)23-13-7-9-14(10-8-13)29-19(20,21)22/h7-10H,3-6,11-12H2,1-2H3,(H,23,26)(H,24,28)/t18-/m1/s1.
What are the key properties of 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 415.41 g/mol, XLogP of 3.80, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-hexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 7916875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).