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

C21H27F3N2O — CID 145176259

IUPACN-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene
SMILESCC/C=C\c1ccccc1.O=C(N(C1CC1)C1CC2(CNC2)C1)C(F)(F)F
InChIInChI=1S/C11H15F3N2O.C10H12/c12-11(13,14)9(17)16(7-1-2-7)8-3-10(4-8)5-15-6-10;1-2-3-7-10-8-5-4-6-9-10/h7-8,15H,1-6H2;3-9H,2H2,1H3/b;7-3-
InChIKeyFBNZHAGXJXTQMR-KEAXFFGOSA-N
MW380.45 g/mol
LogP4.40
Rot. Bonds4

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

N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene (PubChem CID 145176259) has the molecular formula C21H27F3N2O and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene.

Molecular Properties

Compound NameN-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene
PubChem CID145176259
Molecular FormulaC21H27F3N2O
Molecular Weight380.45 g/mol
Exact Mass380.21
IUPAC NameN-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene
SMILESCC/C=C\c1ccccc1.O=C(N(C1CC1)C1CC2(CNC2)C1)C(F)(F)F
InChIInChI=1S/C11H15F3N2O.C10H12/c12-11(13,14)9(17)16(7-1-2-7)8-3-10(4-8)5-15-6-10;1-2-3-7-10-8-5-4-6-9-10/h7-8,15H,1-6H2;3-9H,2H2,1H3/b;7-3-
InChIKeyFBNZHAGXJXTQMR-KEAXFFGOSA-N
XLogP4.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethyl)-N-[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]-2-azaspiro[3.3]heptan-6-amine
CID 122649863
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
2,2-dimethyl-3-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]propanamide
CID 139481831
3-[6-[[(1R,2S)-2-[(E)-1-phenylbut-1-en-2-yl]cyclopropyl]amino]-2-azaspiro[3.3]heptan-2-yl]propanamide
CID 153429583
N-(4,4-dimethyl-6-methylidene-8-phenyloctyl)-2,2,2-trifluoroacetamide
CID 162407665
N-(4,4-dimethyl-6-phenylhept-6-enyl)-2,2,2-trifluoroacetamide
CID 162407877
N-[(3E)-2,2-dimethyl-3-(3-phenylpropylidene)cyclopropyl]-2,2,2-trifluoroacetamide
CID 178339043
N-[(1R,3S)-2,2-dimethyl-3-(3-phenylpropyl)cyclopropyl]-2,2,2-trifluoroacetamide
CID 178339044
N-[(1R,3R)-2,2-dimethyl-3-(3-phenylpropyl)cyclopropyl]-2,2,2-trifluoroacetamide
CID 178339045
1-Diphenylmethyl-3-methyl-3-trifluoroacetylaminomethylazetidine
CID 10473816
N-[(2R)-3-methyl-1-phenylbutan-2-yl]-1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 57580330

Frequently Asked Questions

What is the IUPAC name of N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene?
The IUPAC name of N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene (CID 145176259) is N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene.
What is the SMILES notation for N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene?
The canonical SMILES for N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene is CC/C=C\c1ccccc1.O=C(N(C1CC1)C1CC2(CNC2)C1)C(F)(F)F.
What is the InChIKey of N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene?
The InChIKey is FBNZHAGXJXTQMR-KEAXFFGOSA-N. The full InChI is InChI=1S/C11H15F3N2O.C10H12/c12-11(13,14)9(17)16(7-1-2-7)8-3-10(4-8)5-15-6-10;1-2-3-7-10-8-5-4-6-9-10/h7-8,15H,1-6H2;3-9H,2H2,1H3/b;7-3-.
What are the key properties of N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene?
N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene has a molecular weight of 380.45 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azaspiro[3.3]heptan-6-yl)-N-cyclopropyl-2,2,2-trifluoroacetamide;[(Z)-but-1-enyl]benzene is sourced from PubChem (CID 145176259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).