2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

C11H19F3N2O2 — CID 43698433

IUPAC2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCNCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-15-6-10(17)16-8-3-2-4-9(5-8)18-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeySPCWBRHMLXSVAL-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.21
Rot. Bonds5

About 2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide

2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (PubChem CID 43698433) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
PubChem CID43698433
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
SMILESCNCC(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H19F3N2O2/c1-15-6-10(17)16-8-3-2-4-9(5-8)18-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17)
InChIKeySPCWBRHMLXSVAL-UHFFFAOYSA-N
XLogP1.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.21
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
N-[3-(3-fluorocyclohexyl)oxycyclohexyl]acetamide
CID 134388649
N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]piperidine-2-carboxamide
CID 43698414
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide
CID 43698417
2-amino-3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698418
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-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide (CID 43698433) is 2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is CNCC(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
The InChIKey is SPCWBRHMLXSVAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-15-6-10(17)16-8-3-2-4-9(5-8)18-7-11(12,13)14/h8-9,15H,2-7H2,1H3,(H,16,17).
What are the key properties of 2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide?
2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]acetamide is sourced from PubChem (CID 43698433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).