2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide

C23H26F3N3O4 — CID 177186053

IUPAC2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
SMILESCC1(COCC(=O)N[C@H]2CCN(c3cccc(Oc4ccc(C(F)(F)F)nc4)c3)C2)COC1
InChIInChI=1S/C23H26F3N3O4/c1-22(14-32-15-22)13-31-12-21(30)28-16-7-8-29(11-16)17-3-2-4-18(9-17)33-19-5-6-20(27-10-19)23(24,25)26/h2-6,9-10,16H,7-8,11-15H2,1H3,(H,28,30)/t16-/m0/s1
InChIKeyVTOFHSKMAIVIBT-INIZCTEOSA-N
MW465.47 g/mol
LogP3.64
Rot. Bonds8

About 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide

2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide (PubChem CID 177186053) has the molecular formula C23H26F3N3O4 and a molecular weight of 465.47 g/mol. Its IUPAC name is 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
PubChem CID177186053
Molecular FormulaC23H26F3N3O4
Molecular Weight465.47 g/mol
Exact Mass465.19
IUPAC Name2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
SMILESCC1(COCC(=O)N[C@H]2CCN(c3cccc(Oc4ccc(C(F)(F)F)nc4)c3)C2)COC1
InChIInChI=1S/C23H26F3N3O4/c1-22(14-32-15-22)13-31-12-21(30)28-16-7-8-29(11-16)17-3-2-4-18(9-17)33-19-5-6-20(27-10-19)23(24,25)26/h2-6,9-10,16H,7-8,11-15H2,1H3,(H,28,30)/t16-/m0/s1
InChIKeyVTOFHSKMAIVIBT-INIZCTEOSA-N
XLogP3.64
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.47
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenoxy-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide
CID 177185716
N-[(3S)-1-[3-[[dimethyl(oxo)-λ6-sulfanylidene]amino]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185796
2-[4-(trifluoromethyl)phenyl]-N-[1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302539
2-(2H-benzotriazol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302708
N-[(3S)-1-[3-(4-cyanophenoxy)phenyl]piperidin-3-yl]-2-(cyclopropylmethoxy)acetamide
CID 177185989
2-ethoxy-N-[(3R,4S)-4-methoxy-1-[3-[2-(trifluoromethyl)pyrimidin-5-yl]oxyphenyl]pyrrolidin-3-yl]acetamide
CID 177185911
2-(1-methylindol-5-yl)-N-[(3R)-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidin-3-yl]acetamide
CID 146302783
N-[1-(3-fluorophenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 110479175
N-[(3S)-1-(3-hydroxyphenyl)pyrrolidin-3-yl]-2-methoxyacetamide
CID 177185737
2-methoxy-N-[1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]pyrimidine-5-carboxamide
CID 139001144
N-[(3R)-1-(5-methyl-3-pyridinyl)pyrrolidin-3-yl]-2-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide
CID 165019445
2-naphthalen-2-yloxy-N-[1-[5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]acetamide
CID 121142759

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide (CID 177186053) is 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide is CC1(COCC(=O)N[C@H]2CCN(c3cccc(Oc4ccc(C(F)(F)F)nc4)c3)C2)COC1.
What is the InChIKey of 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide?
The InChIKey is VTOFHSKMAIVIBT-INIZCTEOSA-N. The full InChI is InChI=1S/C23H26F3N3O4/c1-22(14-32-15-22)13-31-12-21(30)28-16-7-8-29(11-16)17-3-2-4-18(9-17)33-19-5-6-20(27-10-19)23(24,25)26/h2-6,9-10,16H,7-8,11-15H2,1H3,(H,28,30)/t16-/m0/s1.
What are the key properties of 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide?
2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide has a molecular weight of 465.47 g/mol, XLogP of 3.64, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyloxetan-3-yl)methoxy]-N-[(3S)-1-[3-[[6-(trifluoromethyl)-3-pyridinyl]oxy]phenyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 177186053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).