2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide

C13H23F3N2O2 — CID 43698418

IUPAC2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESCC(C)C(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-8(2)11(17)12(19)18-9-4-3-5-10(6-9)20-7-13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyZPVCEDMXQLATIX-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.98
Rot. Bonds5

About 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide

2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (PubChem CID 43698418) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.

Molecular Properties

Compound Name2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
PubChem CID43698418
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESCC(C)C(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-8(2)11(17)12(19)18-9-4-3-5-10(6-9)20-7-13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19)
InChIKeyZPVCEDMXQLATIX-UHFFFAOYSA-N
XLogP1.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 43698410
(2S)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 61155301
(2S)-1-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pyrrolidine-2-carboxamide
CID 90063146
(2S)-1-iodo-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]azetidine-2-carboxamide
CID 90063155
2-bromo-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43696433
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-4-carboxamide
CID 43698411
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide
CID 43698414
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 43698417
6-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]hexanamide
CID 43698419
3-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698422
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
CID 43698425
2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
CID 43698430

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The IUPAC name of 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (CID 43698418) is 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.
What is the SMILES notation for 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The canonical SMILES for 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide is CC(C)C(N)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The InChIKey is ZPVCEDMXQLATIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-8(2)11(17)12(19)18-9-4-3-5-10(6-9)20-7-13(14,15)16/h8-11H,3-7,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide has a molecular weight of 296.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide is sourced from PubChem (CID 43698418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).