N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide

C22H22F3N3O6 — CID 18319167

IUPACN-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide
SMILESCC1(C)NC(=O)N(CC(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O
InChIInChI=1S/C22H22F3N3O6/c1-21(2)19(30)27(20(31)26-21)11-16(28(32)13-29)12-33-17-7-3-14(4-8-17)15-5-9-18(10-6-15)34-22(23,24)25/h3-10,13,16,32H,11-12H2,1-2H3,(H,26,31)
InChIKeyIIHFBHZWJNGWRC-UHFFFAOYSA-N
MW481.43 g/mol
LogP3.18
Rot. Bonds9

About N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide

N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide (PubChem CID 18319167) has the molecular formula C22H22F3N3O6 and a molecular weight of 481.43 g/mol. Its IUPAC name is N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide
PubChem CID18319167
Molecular FormulaC22H22F3N3O6
Molecular Weight481.43 g/mol
Exact Mass481.15
IUPAC NameN-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide
SMILESCC1(C)NC(=O)N(CC(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O
InChIInChI=1S/C22H22F3N3O6/c1-21(2)19(30)27(20(31)26-21)11-16(28(32)13-29)12-33-17-7-3-14(4-8-17)15-5-9-18(10-6-15)34-22(23,24)25/h3-10,13,16,32H,11-12H2,1-2H3,(H,26,31)
InChIKeyIIHFBHZWJNGWRC-UHFFFAOYSA-N
XLogP3.18
TPSA108.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.43
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide (CID 18319167) is N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide is CC1(C)NC(=O)N(CC(COc2ccc(-c3ccc(OC(F)(F)F)cc3)cc2)N(O)C=O)C1=O.
What is the InChIKey of N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide?
The InChIKey is IIHFBHZWJNGWRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N3O6/c1-21(2)19(30)27(20(31)26-21)11-16(28(32)13-29)12-33-17-7-3-14(4-8-17)15-5-9-18(10-6-15)34-22(23,24)25/h3-10,13,16,32H,11-12H2,1-2H3,(H,26,31).
What are the key properties of N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide?
N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide has a molecular weight of 481.43 g/mol, XLogP of 3.18, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-3-[4-[4-(trifluoromethoxy)phenyl]phenoxy]propan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 18319167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).