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

C16H20F3NO2 — CID 91918217

IUPAC2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C16H20F3NO2/c1-11(13-6-8-22-9-7-13)15(21)20-10-12-2-4-14(5-3-12)16(17,18)19/h2-5,11,13H,6-10H2,1H3,(H,20,21)
InChIKeyFDIARICDPCCCHU-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.38
Rot. Bonds4

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

2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 91918217) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID91918217
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C16H20F3NO2/c1-11(13-6-8-22-9-7-13)15(21)20-10-12-2-4-14(5-3-12)16(17,18)19/h2-5,11,13H,6-10H2,1H3,(H,20,21)
InChIKeyFDIARICDPCCCHU-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide (CID 91918217) is 2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is CC(C(=O)NCc1ccc(C(F)(F)F)cc1)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is FDIARICDPCCCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-11(13-6-8-22-9-7-13)15(21)20-10-12-2-4-14(5-3-12)16(17,18)19/h2-5,11,13H,6-10H2,1H3,(H,20,21).
What are the key properties of 2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide?
2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 315.33 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 91918217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).