2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

C11H21F3N2O2 — CID 111107760

IUPAC2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)CN(CC(=O)N(C)CC(F)(F)F)C(C)C
InChIInChI=1S/C11H21F3N2O2/c1-8(2)16(5-9(3)17)6-10(18)15(4)7-11(12,13)14/h8-9,17H,5-7H2,1-4H3
InChIKeyPXHZGGPTBJLQQC-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.10
Rot. Bonds6

About 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide

2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 111107760) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID111107760
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Name2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(O)CN(CC(=O)N(C)CC(F)(F)F)C(C)C
InChIInChI=1S/C11H21F3N2O2/c1-8(2)16(5-9(3)17)6-10(18)15(4)7-11(12,13)14/h8-9,17H,5-7H2,1-4H3
InChIKeyPXHZGGPTBJLQQC-UHFFFAOYSA-N
XLogP1.10
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide (CID 111107760) is 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is CC(O)CN(CC(=O)N(C)CC(F)(F)F)C(C)C.
What is the InChIKey of 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is PXHZGGPTBJLQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-8(2)16(5-9(3)17)6-10(18)15(4)7-11(12,13)14/h8-9,17H,5-7H2,1-4H3.
What are the key properties of 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide?
2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 270.29 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxypropyl(propan-2-yl)amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 111107760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).