2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

C15H18F3NO4 — CID 78901000

IUPAC2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C15H18F3NO4/c1-10(2)6-19(8-15(16,17)18)14(20)7-21-11-3-4-12-13(5-11)23-9-22-12/h3-5,10H,6-9H2,1-2H3
InChIKeyAKJSIALBHSOIJQ-UHFFFAOYSA-N
MW333.31 g/mol
LogP2.84
Rot. Bonds6

About 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide

2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78901000) has the molecular formula C15H18F3NO4 and a molecular weight of 333.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78901000
Molecular FormulaC15H18F3NO4
Molecular Weight333.31 g/mol
Exact Mass333.12
IUPAC Name2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C)CN(CC(F)(F)F)C(=O)COc1ccc2c(c1)OCO2
InChIInChI=1S/C15H18F3NO4/c1-10(2)6-19(8-15(16,17)18)14(20)7-21-11-3-4-12-13(5-11)23-9-22-12/h3-5,10H,6-9H2,1-2H3
InChIKeyAKJSIALBHSOIJQ-UHFFFAOYSA-N
XLogP2.84
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-(4-pyridin-2-yloxyphenoxy)-N-(2,2,2-trifluoroethyl)acetamide
CID 78877751
2-(1,3-benzodioxol-5-yloxy)-N-methyl-N-phenylacetamide
CID 17310206
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
2-(1,3-benzodioxol-5-yloxy)-N-(propan-2-yloxymethyl)acetamide;molecular hydrogen
CID 171659187
2-(1,3-benzodioxol-5-yloxy)-N-ethyl-N-(thiophen-2-ylmethyl)acetamide
CID 67516345
N,2-bis(1,3-benzodioxol-5-yloxy)acetamide
CID 158353921
N,N-bis(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 4668559
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
CID 83280267
2-(1,3-benzodioxol-5-yloxy)-N-(ethoxymethyl)acetamide;molecular hydrogen
CID 171659175
N,N-bis(2-methylpropyl)-2-[2-oxo-4-(trifluoromethyl)chromen-7-yl]oxyacetamide
CID 55321270
2-(1,3-benzodioxol-5-yloxy)-1-(4-methylphenyl)ethanone
CID 38114433
2-(6-acetyl-2,3-dichlorophenoxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 86885112

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 78901000) is 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is CC(C)CN(CC(F)(F)F)C(=O)COc1ccc2c(c1)OCO2.
What is the InChIKey of 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is AKJSIALBHSOIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO4/c1-10(2)6-19(8-15(16,17)18)14(20)7-21-11-3-4-12-13(5-11)23-9-22-12/h3-5,10H,6-9H2,1-2H3.
What are the key properties of 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 333.31 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78901000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).