N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide

C21H29F3N2O — CID 129116077

IUPACN-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)CCN1CCC2(CC1)CC2NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H29F3N2O/c1-19(2,3)7-10-26-11-8-20(9-12-26)14-17(20)25-18(27)15-5-4-6-16(13-15)21(22,23)24/h4-6,13,17H,7-12,14H2,1-3H3,(H,25,27)
InChIKeyZGZFHRRADSZZKM-UHFFFAOYSA-N
MW382.47 g/mol
LogP4.73
Rot. Bonds4

About N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide

N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 129116077) has the molecular formula C21H29F3N2O and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID129116077
Molecular FormulaC21H29F3N2O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC NameN-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide
SMILESCC(C)(C)CCN1CCC2(CC1)CC2NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H29F3N2O/c1-19(2,3)7-10-26-11-8-20(9-12-26)14-17(20)25-18(27)15-5-4-6-16(13-15)21(22,23)24/h4-6,13,17H,7-12,14H2,1-3H3,(H,25,27)
InChIKeyZGZFHRRADSZZKM-UHFFFAOYSA-N
XLogP4.73
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[6-[2-(methylamino)-2-oxoethyl]-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide
CID 163537901
N-[(2R)-6-(4-methylpentyl)-6-azaspiro[2.5]octan-2-yl]-3,5-bis(trifluoromethyl)benzamide
CID 140937031
N-[(2R)-6-(2-amino-2-oxoethyl)-6-azaspiro[2.5]octan-2-yl]-3-fluoro-5-(trifluoromethyl)benzamide;2-methylpropane
CID 158391788
2-chloro-N-[(2R)-6-(4-methylpentyl)-6-azaspiro[2.5]octan-2-yl]-5-(trifluoromethyl)benzamide
CID 140937015
N-[6-(2-methylpropyl)-6-azaspiro[2.5]octan-2-yl]benzamide
CID 129116068
N-(3-amino-2,2-dimethylcyclobutyl)-3-(trifluoromethyl)benzamide
CID 114632488
2-(5-aminotetrazol-1-yl)-N-[6-[[3-(trifluoromethyl)phenyl]methyl]-6-azaspiro[2.5]octan-2-yl]acetamide
CID 170505721
N-[2-(azetidin-3-ylamino)-2-oxoethyl]-3-(trifluoromethyl)benzamide;hydrochloride
CID 66750350
N-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 69170249
N-[2-oxo-2-[[1-(2-piperazin-1-ylethyl)pyrrolidin-2-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
CID 68747137
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-(1-adamantylmethyl)-3-(trifluoromethyl)benzamide
CID 4553132

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide (CID 129116077) is N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide is CC(C)(C)CCN1CCC2(CC1)CC2NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is ZGZFHRRADSZZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29F3N2O/c1-19(2,3)7-10-26-11-8-20(9-12-26)14-17(20)25-18(27)15-5-4-6-16(13-15)21(22,23)24/h4-6,13,17H,7-12,14H2,1-3H3,(H,25,27).
What are the key properties of N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide?
N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 382.47 g/mol, XLogP of 4.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,3-dimethylbutyl)-6-azaspiro[2.5]octan-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 129116077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).