N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide

C11H18F3NO3 — CID 103526182

IUPACN-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC1(CC(=O)N(CCO)CC(F)(F)F)CCC1
InChIInChI=1S/C11H18F3NO3/c1-18-10(3-2-4-10)7-9(17)15(5-6-16)8-11(12,13)14/h16H,2-8H2,1H3
InChIKeyCSPJZUNXNSKWDJ-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.33
Rot. Bonds6

About N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 103526182) has the molecular formula C11H18F3NO3 and a molecular weight of 269.26 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID103526182
Molecular FormulaC11H18F3NO3
Molecular Weight269.26 g/mol
Exact Mass269.12
IUPAC NameN-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOC1(CC(=O)N(CCO)CC(F)(F)F)CCC1
InChIInChI=1S/C11H18F3NO3/c1-18-10(3-2-4-10)7-9(17)15(5-6-16)8-11(12,13)14/h16H,2-8H2,1H3
InChIKeyCSPJZUNXNSKWDJ-UHFFFAOYSA-N
XLogP1.33
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 103526182) is N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide is COC1(CC(=O)N(CCO)CC(F)(F)F)CCC1.
What is the InChIKey of N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is CSPJZUNXNSKWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO3/c1-18-10(3-2-4-10)7-9(17)15(5-6-16)8-11(12,13)14/h16H,2-8H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 269.26 g/mol, XLogP of 1.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-(1-methoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 103526182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).