N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

C20H25F6N3O4 — CID 167267260

IUPACN-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESC=C(CCn1cc(C2CC(OC(F)(F)F)C2)nc1C)NC(=O)COC1CC(OC(F)(F)F)C1
InChIInChI=1S/C20H25F6N3O4/c1-11(27-18(30)10-31-14-7-16(8-14)33-20(24,25)26)3-4-29-9-17(28-12(29)2)13-5-15(6-13)32-19(21,22)23/h9,13-16H,1,3-8,10H2,2H3,(H,27,30)
InChIKeyMQVFXEYTAAEHHN-UHFFFAOYSA-N
MW485.43 g/mol
LogP4.08
Rot. Bonds10

About N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide

N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (PubChem CID 167267260) has the molecular formula C20H25F6N3O4 and a molecular weight of 485.43 g/mol. Its IUPAC name is N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.

Molecular Properties

Compound NameN-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
PubChem CID167267260
Molecular FormulaC20H25F6N3O4
Molecular Weight485.43 g/mol
Exact Mass485.17
IUPAC NameN-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide
SMILESC=C(CCn1cc(C2CC(OC(F)(F)F)C2)nc1C)NC(=O)COC1CC(OC(F)(F)F)C1
InChIInChI=1S/C20H25F6N3O4/c1-11(27-18(30)10-31-14-7-16(8-14)33-20(24,25)26)3-4-29-9-17(28-12(29)2)13-5-15(6-13)32-19(21,22)23/h9,13-16H,1,3-8,10H2,2H3,(H,27,30)
InChIKeyMQVFXEYTAAEHHN-UHFFFAOYSA-N
XLogP4.08
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The IUPAC name of N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide (CID 167267260) is N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide.
What is the SMILES notation for N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The canonical SMILES for N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is C=C(CCn1cc(C2CC(OC(F)(F)F)C2)nc1C)NC(=O)COC1CC(OC(F)(F)F)C1.
What is the InChIKey of N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
The InChIKey is MQVFXEYTAAEHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F6N3O4/c1-11(27-18(30)10-31-14-7-16(8-14)33-20(24,25)26)3-4-29-9-17(28-12(29)2)13-5-15(6-13)32-19(21,22)23/h9,13-16H,1,3-8,10H2,2H3,(H,27,30).
What are the key properties of N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide?
N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide has a molecular weight of 485.43 g/mol, XLogP of 4.08, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-methyl-4-[3-(trifluoromethoxy)cyclobutyl]imidazol-1-yl]but-1-en-2-yl]-2-[3-(trifluoromethoxy)cyclobutyl]oxyacetamide is sourced from PubChem (CID 167267260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).