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

C12H18F3N3O3 — CID 4877302

IUPAC2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C12H18F3N3O3/c1-7(2)4-11(3)9(20)18(10(21)17-11)5-8(19)16-6-12(13,14)15/h7H,4-6H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyRJPBJVIUALRGJV-UHFFFAOYSA-N
MW309.29 g/mol
LogP1.02
Rot. Bonds5

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

2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 4877302) has the molecular formula C12H18F3N3O3 and a molecular weight of 309.29 g/mol. Its IUPAC name is 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID4877302
Molecular FormulaC12H18F3N3O3
Molecular Weight309.29 g/mol
Exact Mass309.13
IUPAC Name2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CC1(C)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O
InChIInChI=1S/C12H18F3N3O3/c1-7(2)4-11(3)9(20)18(10(21)17-11)5-8(19)16-6-12(13,14)15/h7H,4-6H2,1-3H3,(H,16,19)(H,17,21)
InChIKeyRJPBJVIUALRGJV-UHFFFAOYSA-N
XLogP1.02
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 51.02
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

CID 100892
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CID 4432972
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CID 2968907
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CID 4520677
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CID 700302
CID 700302
CID 700303
CID 700303
CID 2980567
CID 2980567
CID 16293462
CID 16293462
CID 24982466
CID 24982466
CID 51361557
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CID 71653718
CID 71653718
CID 5273848
CID 5273848

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 4877302) is 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CC1(C)NC(=O)N(CC(=O)NCC(F)(F)F)C1=O.
What is the InChIKey of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is RJPBJVIUALRGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O3/c1-7(2)4-11(3)9(20)18(10(21)17-11)5-8(19)16-6-12(13,14)15/h7H,4-6H2,1-3H3,(H,16,19)(H,17,21).
What are the key properties of 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 309.29 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-4-(2-methylpropyl)-2,5-dioxoimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 4877302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).