2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

C17H22F3NO2 — CID 91907769

IUPAC2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)(C(=O)NCc1cccc(C(F)(F)F)c1)C1CCOCC1
InChIInChI=1S/C17H22F3NO2/c1-16(2,13-6-8-23-9-7-13)15(22)21-11-12-4-3-5-14(10-12)17(18,19)20/h3-5,10,13H,6-9,11H2,1-2H3,(H,21,22)
InChIKeySVCWOYLBRORXCH-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.77
Rot. Bonds4

About 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide

2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 91907769) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID91907769
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC Name2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)(C(=O)NCc1cccc(C(F)(F)F)c1)C1CCOCC1
InChIInChI=1S/C17H22F3NO2/c1-16(2,13-6-8-23-9-7-13)15(22)21-11-12-4-3-5-14(10-12)17(18,19)20/h3-5,10,13H,6-9,11H2,1-2H3,(H,21,22)
InChIKeySVCWOYLBRORXCH-UHFFFAOYSA-N
XLogP3.77
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide (CID 91907769) is 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is CC(C)(C(=O)NCc1cccc(C(F)(F)F)c1)C1CCOCC1.
What is the InChIKey of 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is SVCWOYLBRORXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-16(2,13-6-8-23-9-7-13)15(22)21-11-12-4-3-5-14(10-12)17(18,19)20/h3-5,10,13H,6-9,11H2,1-2H3,(H,21,22).
What are the key properties of 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide?
2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 329.36 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(oxan-4-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 91907769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).