N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

C11H19F3N2O2 — CID 79261536

IUPACN-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CC1CCOCC1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-16(7-9-2-4-18-5-3-9)10(17)6-15-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyIHQZRGDUINLYDQ-UHFFFAOYSA-N
MW268.28 g/mol
LogP1.02
Rot. Bonds5

About N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide

N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 79261536) has the molecular formula C11H19F3N2O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID79261536
Molecular FormulaC11H19F3N2O2
Molecular Weight268.28 g/mol
Exact Mass268.14
IUPAC NameN-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCN(CC1CCOCC1)C(=O)CNCC(F)(F)F
InChIInChI=1S/C11H19F3N2O2/c1-16(7-9-2-4-18-5-3-9)10(17)6-15-8-11(12,13)14/h9,15H,2-8H2,1H3
InChIKeyIHQZRGDUINLYDQ-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide (CID 79261536) is N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is CN(CC1CCOCC1)C(=O)CNCC(F)(F)F.
What is the InChIKey of N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is IHQZRGDUINLYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O2/c1-16(7-9-2-4-18-5-3-9)10(17)6-15-8-11(12,13)14/h9,15H,2-8H2,1H3.
What are the key properties of N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide?
N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 268.28 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 79261536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).