2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide

C18H25F3N2O2 — CID 172824008

IUPAC2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide
SMILESCCCCC(C(N)=O)c1c(C)cc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-3-4-5-14(17(22)24)16-12(2)10-13(11-15(16)18(19,20)21)23-6-8-25-9-7-23/h10-11,14H,3-9H2,1-2H3,(H2,22,24)
InChIKeyUPNDMZOLWCOBCE-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.61
Rot. Bonds6

About 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide

2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide (PubChem CID 172824008) has the molecular formula C18H25F3N2O2 and a molecular weight of 358.40 g/mol. Its IUPAC name is 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide.

Molecular Properties

Compound Name2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide
PubChem CID172824008
Molecular FormulaC18H25F3N2O2
Molecular Weight358.40 g/mol
Exact Mass358.19
IUPAC Name2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide
SMILESCCCCC(C(N)=O)c1c(C)cc(N2CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C18H25F3N2O2/c1-3-4-5-14(17(22)24)16-12(2)10-13(11-15(16)18(19,20)21)23-6-8-25-9-7-23/h10-11,14H,3-9H2,1-2H3,(H2,22,24)
InChIKeyUPNDMZOLWCOBCE-UHFFFAOYSA-N
XLogP3.61
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide?
The IUPAC name of 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide (CID 172824008) is 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide.
What is the SMILES notation for 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide?
The canonical SMILES for 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide is CCCCC(C(N)=O)c1c(C)cc(N2CCOCC2)cc1C(F)(F)F.
What is the InChIKey of 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide?
The InChIKey is UPNDMZOLWCOBCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2/c1-3-4-5-14(17(22)24)16-12(2)10-13(11-15(16)18(19,20)21)23-6-8-25-9-7-23/h10-11,14H,3-9H2,1-2H3,(H2,22,24).
What are the key properties of 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide?
2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide has a molecular weight of 358.40 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-morpholin-4-yl-6-(trifluoromethyl)phenyl]hexanamide is sourced from PubChem (CID 172824008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).