2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C16H25F3N2O — CID 119701811

IUPAC2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)11-1-3-12(4-2-11)21-15(22)9-10-7-13-5-6-14(8-10)20-13/h10-14,20H,1-9H2,(H,21,22)
InChIKeyJXVOYYOSUZGRNP-UHFFFAOYSA-N
MW318.38 g/mol
LogP3.14
Rot. Bonds3

About 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 119701811) has the molecular formula C16H25F3N2O and a molecular weight of 318.38 g/mol. Its IUPAC name is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID119701811
Molecular FormulaC16H25F3N2O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC Name2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESO=C(CC1CC2CCC(C1)N2)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N2O/c17-16(18,19)11-1-3-12(4-2-11)21-15(22)9-10-7-13-5-6-14(8-10)20-13/h10-14,20H,1-9H2,(H,21,22)
InChIKeyJXVOYYOSUZGRNP-UHFFFAOYSA-N
XLogP3.14
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 119701811) is 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is O=C(CC1CC2CCC(C1)N2)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is JXVOYYOSUZGRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N2O/c17-16(18,19)11-1-3-12(4-2-11)21-15(22)9-10-7-13-5-6-14(8-10)20-13/h10-14,20H,1-9H2,(H,21,22).
What are the key properties of 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 318.38 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 119701811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).