2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide

C11H19F3N2O2 — CID 79473742

IUPAC2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESNCCOCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-1-3-9(4-2-8)16-10(17)7-18-6-5-15/h8-9H,1-7,15H2,(H,16,17)
InChIKeySKRMZTZEHJYEKH-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.20
Rot. Bonds5

About 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide

2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (PubChem CID 79473742) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.

Molecular Properties

Compound Name2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
PubChem CID79473742
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC Name2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide
SMILESNCCOCC(=O)NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H19F3N2O2/c12-11(13,14)8-1-3-9(4-2-8)16-10(17)7-18-6-5-15/h8-9H,1-7,15H2,(H,16,17)
InChIKeySKRMZTZEHJYEKH-UHFFFAOYSA-N
XLogP1.20
TPSA64.35 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 ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The IUPAC name of 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide (CID 79473742) is 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide.
What is the SMILES notation for 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The canonical SMILES for 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is NCCOCC(=O)NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
The InChIKey is SKRMZTZEHJYEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c12-11(13,14)8-1-3-9(4-2-8)16-10(17)7-18-6-5-15/h8-9H,1-7,15H2,(H,16,17).
What are the key properties of 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide?
2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-N-[4-(trifluoromethyl)cyclohexyl]acetamide is sourced from PubChem (CID 79473742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).