3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

C12H20F3N3O3 — CID 115475773

IUPAC3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)NCC(O)CN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C12H20F3N3O3/c1-10(2,3)16-5-7(19)6-18-8(20)11(4,12(13,14)15)17-9(18)21/h7,16,19H,5-6H2,1-4H3,(H,17,21)
InChIKeyLTWDZJAGUQYOLB-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.61
Rot. Bonds4

About 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione

3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (PubChem CID 115475773) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
PubChem CID115475773
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Name3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
SMILESCC(C)(C)NCC(O)CN1C(=O)NC(C)(C(F)(F)F)C1=O
InChIInChI=1S/C12H20F3N3O3/c1-10(2,3)16-5-7(19)6-18-8(20)11(4,12(13,14)15)17-9(18)21/h7,16,19H,5-6H2,1-4H3,(H,17,21)
InChIKeyLTWDZJAGUQYOLB-UHFFFAOYSA-N
XLogP0.61
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroxypropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 82849872
2,2-dimethyl-3-[4-methyl-2,5-dioxo-4-(trifluoromethyl)imidazolidin-1-yl]propanehydrazide
CID 79630523
3-(3-bromo-2,2-dimethylpropyl)-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 64995013
5-methyl-3-(4-oxohexyl)-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 106801793
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione
CID 80611560
3-[3-(cyclopropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43165980
(2R)-1-(tert-butylamino)butan-2-ol
CID 93383134
1-(tert-butylamino)-3-(4,4-dimethylazepan-1-yl)propan-2-ol
CID 115475401
1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazolidin-2-one
CID 115475702
1-[3-(tert-butylamino)-2-hydroxypropyl]-3-methylimidazol-2-one
CID 115475868
1,3,5-tris[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]-1,3,5-triazinane-2,4,6-trione
CID 5086374
3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95390025

Frequently Asked Questions

What is the IUPAC name of 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione (CID 115475773) is 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is CC(C)(C)NCC(O)CN1C(=O)NC(C)(C(F)(F)F)C1=O.
What is the InChIKey of 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
The InChIKey is LTWDZJAGUQYOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-10(2,3)16-5-7(19)6-18-8(20)11(4,12(13,14)15)17-9(18)21/h7,16,19H,5-6H2,1-4H3,(H,17,21).
What are the key properties of 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione?
3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione has a molecular weight of 311.30 g/mol, XLogP of 0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(tert-butylamino)-2-hydroxypropyl]-5-methyl-5-(trifluoromethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 115475773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).