N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide

C12H21F3N2O2 — CID 107493502

IUPACN-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOC1CC(CC(=O)N(CCN)CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-2-19-10-5-9(6-10)7-11(18)17(4-3-16)8-12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyYAUULBBMCIISMH-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.54
Rot. Bonds7

About N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107493502) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107493502
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC NameN-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCOC1CC(CC(=O)N(CCN)CC(F)(F)F)C1
InChIInChI=1S/C12H21F3N2O2/c1-2-19-10-5-9(6-10)7-11(18)17(4-3-16)8-12(13,14)15/h9-10H,2-8,16H2,1H3
InChIKeyYAUULBBMCIISMH-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107493502) is N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide is CCOC1CC(CC(=O)N(CCN)CC(F)(F)F)C1.
What is the InChIKey of N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YAUULBBMCIISMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-19-10-5-9(6-10)7-11(18)17(4-3-16)8-12(13,14)15/h9-10H,2-8,16H2,1H3.
What are the key properties of N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 282.31 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-ethoxycyclobutyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107493502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).