2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide

C25H33F3N2O2 — CID 139465163

IUPAC2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(C1)CN(CC(C)(C)O)C2
InChIInChI=1S/C25H33F3N2O2/c1-4-18(10-17-8-6-5-7-9-17)20-11-21(20)30(22(31)25(26,27)28)19-12-24(13-19)15-29(16-24)14-23(2,3)32/h5-10,19-21,32H,4,11-16H2,1-3H3/b18-10+/t20-,21+/m0/s1
InChIKeyDXGGULJVCNOTIF-SYWXZGPASA-N
MW450.55 g/mol
LogP4.49
Rot. Bonds7

About 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide

2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide (PubChem CID 139465163) has the molecular formula C25H33F3N2O2 and a molecular weight of 450.55 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
PubChem CID139465163
Molecular FormulaC25H33F3N2O2
Molecular Weight450.55 g/mol
Exact Mass450.25
IUPAC Name2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(C1)CN(CC(C)(C)O)C2
InChIInChI=1S/C25H33F3N2O2/c1-4-18(10-17-8-6-5-7-9-17)20-11-21(20)30(22(31)25(26,27)28)19-12-24(13-19)15-29(16-24)14-23(2,3)32/h5-10,19-21,32H,4,11-16H2,1-3H3/b18-10+/t20-,21+/m0/s1
InChIKeyDXGGULJVCNOTIF-SYWXZGPASA-N
XLogP4.49
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.55
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide with MolForge

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Related Compounds

tert-butyl 2-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-(2,2,2-trifluoroacetyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
CID 122640907
tert-butyl 2-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-(2,2,2-trifluoroacetyl)amino]-7-azaspiro[3.5]nonane-7-carboxylate
CID 122640908
N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoro-N-[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122641133
N-(2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122641135
tert-butyl 6-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-(2,2,2-trifluoroacetyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 122641373
3-[6-[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-(2,2,2-trifluoroacetyl)amino]-2-azaspiro[3.3]heptan-2-yl]propanoic acid
CID 122641403
tert-butyl 3-methyl-3-[[[2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-(2,2,2-trifluoroacetyl)amino]methyl]azetidine-1-carboxylate
CID 122641481
N-[2-(2,2-difluoroethyl)-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122648952
tert-butyl 3-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-(2,2,2-trifluoroacetyl)amino]-2-azaspiro[3.3]heptan-2-yl]propanoate
CID 122649172
N-[2-(2-amino-2-oxoethyl)-2-azaspiro[3.3]heptan-6-yl]-2,2,2-trifluoro-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122649327
2,2,2-trifluoro-N-[2-(oxetan-3-yl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide
CID 122649777
tert-butyl 6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-(2,2,2-trifluoroacetyl)amino]-2-azaspiro[3.3]heptane-2-carboxylate
CID 122649912

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide (CID 139465163) is 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide is CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(C1)CN(CC(C)(C)O)C2.
What is the InChIKey of 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
The InChIKey is DXGGULJVCNOTIF-SYWXZGPASA-N. The full InChI is InChI=1S/C25H33F3N2O2/c1-4-18(10-17-8-6-5-7-9-17)20-11-21(20)30(22(31)25(26,27)28)19-12-24(13-19)15-29(16-24)14-23(2,3)32/h5-10,19-21,32H,4,11-16H2,1-3H3/b18-10+/t20-,21+/m0/s1.
What are the key properties of 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide?
2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide has a molecular weight of 450.55 g/mol, XLogP of 4.49, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-(2-hydroxy-2-methylpropyl)-2-azaspiro[3.3]heptan-6-yl]-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]acetamide is sourced from PubChem (CID 139465163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).