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

C13H23F3N2O2 — CID 43698435

IUPAC2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
SMILESCCCC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-2-4-11(17)12(19)18-9-5-3-6-10(7-9)20-8-13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyNRLXJHVXEFOWBS-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.12
Rot. Bonds6

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

2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide (PubChem CID 43698435) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
PubChem CID43698435
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide
SMILESCCCC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H23F3N2O2/c1-2-4-11(17)12(19)18-9-5-3-6-10(7-9)20-8-13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19)
InChIKeyNRLXJHVXEFOWBS-UHFFFAOYSA-N
XLogP2.12
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide with MolForge

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

Launch Full Analysis

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-(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
4-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
CID 43698431

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The IUPAC name of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide (CID 43698435) is 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide.
What is the SMILES notation for 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The canonical SMILES for 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide is CCCC(N)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
The InChIKey is NRLXJHVXEFOWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-4-11(17)12(19)18-9-5-3-6-10(7-9)20-8-13(14,15)16/h9-11H,2-8,17H2,1H3,(H,18,19).
What are the key properties of 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide?
2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide has a molecular weight of 296.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]pentanamide is sourced from PubChem (CID 43698435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).