2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide

C16H29F3N2O2 — CID 174339054

IUPAC2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide
SMILESCC(C)CNC(=O)C(C)CCC(C)N1CCOCC1C(F)(F)F
InChIInChI=1S/C16H29F3N2O2/c1-11(2)9-20-15(22)12(3)5-6-13(4)21-7-8-23-10-14(21)16(17,18)19/h11-14H,5-10H2,1-4H3,(H,20,22)
InChIKeyFSOAXQNBGQWFRH-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.83
Rot. Bonds7

About 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide

2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide (PubChem CID 174339054) has the molecular formula C16H29F3N2O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide.

Molecular Properties

Compound Name2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide
PubChem CID174339054
Molecular FormulaC16H29F3N2O2
Molecular Weight338.41 g/mol
Exact Mass338.22
IUPAC Name2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide
SMILESCC(C)CNC(=O)C(C)CCC(C)N1CCOCC1C(F)(F)F
InChIInChI=1S/C16H29F3N2O2/c1-11(2)9-20-15(22)12(3)5-6-13(4)21-7-8-23-10-14(21)16(17,18)19/h11-14H,5-10H2,1-4H3,(H,20,22)
InChIKeyFSOAXQNBGQWFRH-UHFFFAOYSA-N
XLogP2.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide?
The IUPAC name of 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide (CID 174339054) is 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide.
What is the SMILES notation for 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide?
The canonical SMILES for 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide is CC(C)CNC(=O)C(C)CCC(C)N1CCOCC1C(F)(F)F.
What is the InChIKey of 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide?
The InChIKey is FSOAXQNBGQWFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29F3N2O2/c1-11(2)9-20-15(22)12(3)5-6-13(4)21-7-8-23-10-14(21)16(17,18)19/h11-14H,5-10H2,1-4H3,(H,20,22).
What are the key properties of 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide?
2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide has a molecular weight of 338.41 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylpropyl)-5-[3-(trifluoromethyl)morpholin-4-yl]hexanamide is sourced from PubChem (CID 174339054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).