(3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide

C11H21F3N2O2 — CID 118882679

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide
SMILESC[C@H](CCN(C)CCC(F)(F)F)[C@@H](O)CC(N)=O
InChIInChI=1S/C11H21F3N2O2/c1-8(9(17)7-10(15)18)3-5-16(2)6-4-11(12,13)14/h8-9,17H,3-7H2,1-2H3,(H2,15,18)/t8-,9+/m1/s1
InChIKeyWIHQEDORYOWHDK-BDAKNGLRSA-N
MW270.29 g/mol
LogP1.13
Rot. Bonds8

About (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide (PubChem CID 118882679) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide
PubChem CID118882679
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide
SMILESC[C@H](CCN(C)CCC(F)(F)F)[C@@H](O)CC(N)=O
InChIInChI=1S/C11H21F3N2O2/c1-8(9(17)7-10(15)18)3-5-16(2)6-4-11(12,13)14/h8-9,17H,3-7H2,1-2H3,(H2,15,18)/t8-,9+/m1/s1
InChIKeyWIHQEDORYOWHDK-BDAKNGLRSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]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 (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide (CID 118882679) is (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide is C[C@H](CCN(C)CCC(F)(F)F)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide?
The InChIKey is WIHQEDORYOWHDK-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-8(9(17)7-10(15)18)3-5-16(2)6-4-11(12,13)14/h8-9,17H,3-7H2,1-2H3,(H2,15,18)/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide has a molecular weight of 270.29 g/mol, XLogP of 1.13, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide is sourced from PubChem (CID 118882679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).