(3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

C23H30F3NO2 — CID 164710414

IUPAC(3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)c1c(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cccc1C(F)(F)F
InChIInChI=1S/C23H30F3NO2/c1-14(2)19-16(5-4-6-18(19)23(24,25)26)7-15-8-22(9-15)12-27(13-22)20(28)17-10-21(3,29)11-17/h4-6,14-15,17,29H,7-13H2,1-3H3
InChIKeySJLSSLLIYKEPHO-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.77
Rot. Bonds4

About (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone

(3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (PubChem CID 164710414) has the molecular formula C23H30F3NO2 and a molecular weight of 409.49 g/mol. Its IUPAC name is (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.

Molecular Properties

Compound Name(3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
PubChem CID164710414
Molecular FormulaC23H30F3NO2
Molecular Weight409.49 g/mol
Exact Mass409.22
IUPAC Name(3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone
SMILESCC(C)c1c(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cccc1C(F)(F)F
InChIInChI=1S/C23H30F3NO2/c1-14(2)19-16(5-4-6-18(19)23(24,25)26)7-15-8-22(9-15)12-27(13-22)20(28)17-10-21(3,29)11-17/h4-6,14-15,17,29H,7-13H2,1-3H3
InChIKeySJLSSLLIYKEPHO-UHFFFAOYSA-N
XLogP4.77
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone with MolForge

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Related Compounds

US11802111, Example 212
CID 164710556
US11802111, Example 55
CID 164709967
US11802111, Example 230
CID 164709970
US11802111, Example 6
CID 164709972
US11802111, Example 189
CID 164709982
US11802111, Example 199
CID 164709989
US11802111, Example 155
CID 164710000
US11802111, Example 353
CID 164710004
US11802111, Example 108
CID 164710028
US11802111, Example 163
CID 164710034
US11802111, Example 162
CID 164710041
US11802111, Example 7
CID 164710055

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The IUPAC name of (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone (CID 164710414) is (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone.
What is the SMILES notation for (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The canonical SMILES for (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is CC(C)c1c(CC2CC3(C2)CN(C(=O)C2CC(C)(O)C2)C3)cccc1C(F)(F)F.
What is the InChIKey of (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
The InChIKey is SJLSSLLIYKEPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30F3NO2/c1-14(2)19-16(5-4-6-18(19)23(24,25)26)7-15-8-22(9-15)12-27(13-22)20(28)17-10-21(3,29)11-17/h4-6,14-15,17,29H,7-13H2,1-3H3.
What are the key properties of (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone?
(3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone has a molecular weight of 409.49 g/mol, XLogP of 4.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-3-methylcyclobutyl)-[6-[[2-propan-2-yl-3-(trifluoromethyl)phenyl]methyl]-2-azaspiro[3.3]heptan-2-yl]methanone is sourced from PubChem (CID 164710414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).