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

C23H27F5N2O — CID 122648952

IUPACN-[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
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(C1)CN(CC(F)F)C2
InChIInChI=1S/C23H27F5N2O/c1-2-16(8-15-6-4-3-5-7-15)18-9-19(18)30(21(31)23(26,27)28)17-10-22(11-17)13-29(14-22)12-20(24)25/h3-8,17-20H,2,9-14H2,1H3/b16-8+/t18-,19+/m0/s1
InChIKeyXIPAHUPEGURRKW-XLRIHDRJSA-N
MW442.47 g/mol
LogP4.99
Rot. Bonds7

About 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

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 (PubChem CID 122648952) has the molecular formula C23H27F5N2O and a molecular weight of 442.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID122648952
Molecular FormulaC23H27F5N2O
Molecular Weight442.47 g/mol
Exact Mass442.20
IUPAC NameN-[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
SMILESCC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(C1)CN(CC(F)F)C2
InChIInChI=1S/C23H27F5N2O/c1-2-16(8-15-6-4-3-5-7-15)18-9-19(18)30(21(31)23(26,27)28)17-10-22(11-17)13-29(14-22)12-20(24)25/h3-8,17-20H,2,9-14H2,1H3/b16-8+/t18-,19+/m0/s1
InChIKeyXIPAHUPEGURRKW-XLRIHDRJSA-N
XLogP4.99
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 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 with MolForge

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Related Compounds

1-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]ethanone
CID 156017190
2-(6-(((1R,2S)-2-((E)-1-phenylbut-1-en-2-yl)cyclopropyl)amino)-2-azaspiro[3.3]heptan-2-yl)ethanesulfonamide
CID 139481646
3-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]propanamide
CID 153429583
2,2,2-trifluoro-N-hexyl-N-[(E,3R)-1-phenylhex-4-en-3-yl]acetamide
CID 101524507
2,2,2-trifluoro-N-(3-methylbutyl)-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide
CID 134940927
2,2,2-trifluoro-N-[(3R)-4-methylpent-1-en-3-yl]-N-(2-phenylethyl)acetamide
CID 135055232
2,2,2-trifluoro-N-hexyl-N-[(3R)-5-phenylpent-1-en-3-yl]acetamide
CID 135055373
2,2,2-trifluoro-N-hexyl-N-[(E,3S)-1-phenylhex-4-en-3-yl]acetamide
CID 139250958
2,2,2-trifluoro-N-[(E,2S)-6-methylhept-3-en-2-yl]-N-(2-phenylethyl)acetamide
CID 139250963
2,2,2-trifluoro-N-[(E,2R)-6-methylhept-3-en-2-yl]-N-(2-phenylethyl)acetamide
CID 139250964
2,2,2-trifluoro-N-[(E,4R)-6-methylhept-2-en-4-yl]-N-(2-phenylethyl)acetamide
CID 139250992
2,2,2-trifluoro-N-hexyl-N-[(E,3R)-1-phenylhept-4-en-3-yl]acetamide
CID 139250996

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC/C(=C\c1ccccc1)[C@@H]1C[C@H]1N(C(=O)C(F)(F)F)C1CC2(C1)CN(CC(F)F)C2.
What is the InChIKey of 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?
The InChIKey is XIPAHUPEGURRKW-XLRIHDRJSA-N. The full InChI is InChI=1S/C23H27F5N2O/c1-2-16(8-15-6-4-3-5-7-15)18-9-19(18)30(21(31)23(26,27)28)17-10-22(11-17)13-29(14-22)12-20(24)25/h3-8,17-20H,2,9-14H2,1H3/b16-8+/t18-,19+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 442.47 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 122648952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).