[(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide

C23H31F3N2O2 — CID 142338706

IUPAC[(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
SMILESCC/C=C\c1ccccc1.O=C(N(C1CC1)C1CC2(C1)CN(CCO)C2)C(F)(F)F
InChIInChI=1S/C13H19F3N2O2.C10H12/c14-13(15,16)11(20)18(9-1-2-9)10-5-12(6-10)7-17(8-12)3-4-19;1-2-3-7-10-8-5-4-6-9-10/h9-10,19H,1-8H2;3-9H,2H2,1H3/b;7-3-
InChIKeyCNZPRXLLWWUOHP-KEAXFFGOSA-N
MW424.51 g/mol
LogP4.11
Rot. Bonds6

About [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide

[(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide (PubChem CID 142338706) has the molecular formula C23H31F3N2O2 and a molecular weight of 424.51 g/mol. Its IUPAC name is [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide.

Molecular Properties

Compound Name[(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
PubChem CID142338706
Molecular FormulaC23H31F3N2O2
Molecular Weight424.51 g/mol
Exact Mass424.23
IUPAC Name[(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide
SMILESCC/C=C\c1ccccc1.O=C(N(C1CC1)C1CC2(C1)CN(CCO)C2)C(F)(F)F
InChIInChI=1S/C13H19F3N2O2.C10H12/c14-13(15,16)11(20)18(9-1-2-9)10-5-12(6-10)7-17(8-12)3-4-19;1-2-3-7-10-8-5-4-6-9-10/h9-10,19H,1-8H2;3-9H,2H2,1H3/b;7-3-
InChIKeyCNZPRXLLWWUOHP-KEAXFFGOSA-N
XLogP4.11
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-2-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]acetamide
CID 154732824
2,2,2-Trifluoro-N-((1-(2-hydroxyethyl)piperidin-4-yl)methyl)-N-(trans-2-phenylcyclopropyl)acetamide
CID 86708236
2,2,2-trifluoro-N-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]-N-(2-phenylcyclopropyl)acetamide
CID 88962059
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
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
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
N-(2-chloro-2-azaspiro[3.3]heptan-6-yl)-2,2,2-trifluoro-N-(2-phenylcyclopropyl)acetamide
CID 132137899

Frequently Asked Questions

What is the IUPAC name of [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
The IUPAC name of [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide (CID 142338706) is [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide.
What is the SMILES notation for [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
The canonical SMILES for [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide is CC/C=C\c1ccccc1.O=C(N(C1CC1)C1CC2(C1)CN(CCO)C2)C(F)(F)F.
What is the InChIKey of [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
The InChIKey is CNZPRXLLWWUOHP-KEAXFFGOSA-N. The full InChI is InChI=1S/C13H19F3N2O2.C10H12/c14-13(15,16)11(20)18(9-1-2-9)10-5-12(6-10)7-17(8-12)3-4-19;1-2-3-7-10-8-5-4-6-9-10/h9-10,19H,1-8H2;3-9H,2H2,1H3/b;7-3-.
What are the key properties of [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide?
[(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide has a molecular weight of 424.51 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-but-1-enyl]benzene;N-cyclopropyl-2,2,2-trifluoro-N-[2-(2-hydroxyethyl)-2-azaspiro[3.3]heptan-6-yl]acetamide is sourced from PubChem (CID 142338706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).