N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide

C21H24F6N2O2 — CID 166654979

IUPACN-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
SMILESO=C(N(C1CC1)C1COC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1)C(F)(F)F
InChIInChI=1S/C21H24F6N2O2/c22-20(23,24)15-3-1-14(2-4-15)12-28-9-7-19(8-10-28)11-17(13-31-19)29(16-5-6-16)18(30)21(25,26)27/h1-4,16-17H,5-13H2
InChIKeyJONCYCQUWAWDRQ-UHFFFAOYSA-N
MW450.42 g/mol
LogP4.38
Rot. Bonds4

About N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide

N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide (PubChem CID 166654979) has the molecular formula C21H24F6N2O2 and a molecular weight of 450.42 g/mol. Its IUPAC name is N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
PubChem CID166654979
Molecular FormulaC21H24F6N2O2
Molecular Weight450.42 g/mol
Exact Mass450.17
IUPAC NameN-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide
SMILESO=C(N(C1CC1)C1COC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1)C(F)(F)F
InChIInChI=1S/C21H24F6N2O2/c22-20(23,24)15-3-1-14(2-4-15)12-28-9-7-19(8-10-28)11-17(13-31-19)29(16-5-6-16)18(30)21(25,26)27/h1-4,16-17H,5-13H2
InChIKeyJONCYCQUWAWDRQ-UHFFFAOYSA-N
XLogP4.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The IUPAC name of N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide (CID 166654979) is N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide is O=C(N(C1CC1)C1COC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1)C(F)(F)F.
What is the InChIKey of N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
The InChIKey is JONCYCQUWAWDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F6N2O2/c22-20(23,24)15-3-1-14(2-4-15)12-28-9-7-19(8-10-28)11-17(13-31-19)29(16-5-6-16)18(30)21(25,26)27/h1-4,16-17H,5-13H2.
What are the key properties of N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide?
N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide has a molecular weight of 450.42 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2,2,2-trifluoro-N-[8-[[4-(trifluoromethyl)phenyl]methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]acetamide is sourced from PubChem (CID 166654979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).