2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide

C21H28F3N3O2 — CID 169216848

IUPAC2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide
SMILESCC(C)(C)NC(=O)CN1CC2(CC(CC(=O)Nc3cc(F)cc(C(F)F)c3)C2)C1
InChIInChI=1S/C21H28F3N3O2/c1-20(2,3)26-18(29)10-27-11-21(12-27)8-13(9-21)4-17(28)25-16-6-14(19(23)24)5-15(22)7-16/h5-7,13,19H,4,8-12H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyWTMJZBSJVVRWSK-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.72
Rot. Bonds6

About 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide

2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide (PubChem CID 169216848) has the molecular formula C21H28F3N3O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide.

Molecular Properties

Compound Name2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide
PubChem CID169216848
Molecular FormulaC21H28F3N3O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide
SMILESCC(C)(C)NC(=O)CN1CC2(CC(CC(=O)Nc3cc(F)cc(C(F)F)c3)C2)C1
InChIInChI=1S/C21H28F3N3O2/c1-20(2,3)26-18(29)10-27-11-21(12-27)8-13(9-21)4-17(28)25-16-6-14(19(23)24)5-15(22)7-16/h5-7,13,19H,4,8-12H2,1-3H3,(H,25,28)(H,26,29)
InChIKeyWTMJZBSJVVRWSK-UHFFFAOYSA-N
XLogP3.72
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(tert-butylamino)-2-oxoethyl]-N-[3-(difluoromethoxy)-5-fluorophenyl]-2-azaspiro[3.3]heptane-6-carboxamide
CID 169216534
2-[6-[2-(tert-butylamino)-2-oxoethyl]-6-azabicyclo[3.1.1]heptan-3-yl]-N-(3-chloro-5-fluorophenyl)acetamide
CID 169216011
2-[2-(cyclopentylamino)-2-oxoethyl]-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216124
N-(3-chloro-5-fluorophenyl)-2-[2-[2-(2-methylbutan-2-ylamino)-2-oxoethyl]-2,6-diazaspiro[3.3]heptan-6-yl]acetamide
CID 169215233
(2S)-6-[2-(tert-butylamino)-2-oxoethyl]-N-[3-fluoro-5-(trifluoromethyl)phenyl]-6-azaspiro[2.5]octane-2-carboxamide
CID 129116156
N-tert-butyl-2-[6-(methylaminomethyl)-2-azaspiro[3.3]heptan-2-yl]acetamide;2,5-dimethylpyrazole-3-carbaldehyde
CID 169216916
2-[(1S,4S)-5-[2-(tert-butylamino)-2-oxoethyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl]-N-(3-chloro-5-fluorophenyl)acetamide
CID 170266925
N-tert-butyl-2-(7-oxa-2-azaspiro[3.5]nonan-2-yl)acetamide
CID 170256764
2-(2-cyclohexyl-2,2-difluoroethyl)-N-[3-(difluoromethyl)-5-fluorophenyl]-2-azaspiro[3.5]nonane-7-carboxamide
CID 169216238
N-tert-butyl-2-[6-[[1-(3-tert-butyl-1-methylpyrazol-5-yl)ethenylamino]methyl]-2-azaspiro[3.3]heptan-2-yl]acetamide
CID 169216895
N-[3-(difluoromethyl)-5-fluorophenyl]formamide;2-(7-methyl-2-azaspiro[3.5]nonan-2-yl)-1-morpholin-4-ylethanone
CID 169216063
N-[3,5-bis(trifluoromethyl)phenyl]-6-[2-(tert-butylamino)-2-oxoethyl]-6-azaspiro[2.5]octane-2-carboxamide;ethane
CID 145310257

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide?
The IUPAC name of 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide (CID 169216848) is 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide.
What is the SMILES notation for 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide?
The canonical SMILES for 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide is CC(C)(C)NC(=O)CN1CC2(CC(CC(=O)Nc3cc(F)cc(C(F)F)c3)C2)C1.
What is the InChIKey of 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide?
The InChIKey is WTMJZBSJVVRWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28F3N3O2/c1-20(2,3)26-18(29)10-27-11-21(12-27)8-13(9-21)4-17(28)25-16-6-14(19(23)24)5-15(22)7-16/h5-7,13,19H,4,8-12H2,1-3H3,(H,25,28)(H,26,29).
What are the key properties of 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide?
2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide has a molecular weight of 411.47 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(tert-butylamino)-2-oxoethyl]-2-azaspiro[3.3]heptan-6-yl]-N-[3-(difluoromethyl)-5-fluorophenyl]acetamide is sourced from PubChem (CID 169216848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).