N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide

C13H23F3N2O2 — CID 103209610

IUPACN-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN(C(=O)CCOCC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C13H23F3N2O2/c1-2-18(11-5-3-10(17)4-6-11)12(19)7-8-20-9-13(14,15)16/h10-11H,2-9,17H2,1H3
InChIKeyJIAQENYNZJZYKC-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.07
Rot. Bonds6

About N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide

N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 103209610) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID103209610
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC NameN-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESCCN(C(=O)CCOCC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C13H23F3N2O2/c1-2-18(11-5-3-10(17)4-6-11)12(19)7-8-20-9-13(14,15)16/h10-11H,2-9,17H2,1H3
InChIKeyJIAQENYNZJZYKC-UHFFFAOYSA-N
XLogP2.07
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-aminocyclohexyl)-N-ethyl-3,3-dimethylbutanamide
CID 79116038
N-propyl-N-pyrrolidin-3-yl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103806546
N-(3-chloropropyl)-N-cyclobutyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212868
N-(4-aminocyclohexyl)-2-cyclohexyl-N-ethylacetamide
CID 79115417
N-cyclopropyl-N-(4-ethylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 78884250
N-[(3-chlorocyclobutyl)methyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212210
N-(3-aminopropyl)-N-cyclopropyl-3-ethoxypropanamide
CID 62588782
N-[2-(2-aminoethoxy)ethyl]-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 114243684
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212140
N-(1-chloropropan-2-yl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212667
3-(2-aminophenoxy)-N-cyclopropyl-N-ethylpropanamide
CID 61095746

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 103209610) is N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide is CCN(C(=O)CCOCC(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is JIAQENYNZJZYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-2-18(11-5-3-10(17)4-6-11)12(19)7-8-20-9-13(14,15)16/h10-11H,2-9,17H2,1H3.
What are the key properties of N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 296.33 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-N-ethyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 103209610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).