N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide

C11H21F3N2O2 — CID 55261840

IUPACN-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
SMILESCCC(CC)NC(=O)CNCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-9(4-2)16-10(17)7-15-5-6-18-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyYIGVMYVHEISLSW-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.46
Rot. Bonds9

About N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide

N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide (PubChem CID 55261840) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide.

Molecular Properties

Compound NameN-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
PubChem CID55261840
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC NameN-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide
SMILESCCC(CC)NC(=O)CNCCOCC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-9(4-2)16-10(17)7-15-5-6-18-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17)
InChIKeyYIGVMYVHEISLSW-UHFFFAOYSA-N
XLogP1.46
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.46
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 N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The IUPAC name of N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide (CID 55261840) is N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide.
What is the SMILES notation for N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The canonical SMILES for N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide is CCC(CC)NC(=O)CNCCOCC(F)(F)F.
What is the InChIKey of N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
The InChIKey is YIGVMYVHEISLSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-3-9(4-2)16-10(17)7-15-5-6-18-8-11(12,13)14/h9,15H,3-8H2,1-2H3,(H,16,17).
What are the key properties of N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide?
N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.46, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-3-yl-2-[2-(2,2,2-trifluoroethoxy)ethylamino]acetamide is sourced from PubChem (CID 55261840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).