2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide

C19H24F3NO4 — CID 121416204

IUPAC2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide
SMILESC=CCOC(COC1CCCCO1)C(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H24F3NO4/c1-2-11-25-15(13-27-16-10-6-7-12-26-16)17(14-8-4-3-5-9-14)23-18(24)19(20,21)22/h2-5,8-9,15-17H,1,6-7,10-13H2,(H,23,24)
InChIKeyMOXTVARJPZMKEM-UHFFFAOYSA-N
MW387.40 g/mol
LogP3.52
Rot. Bonds9

About 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide

2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide (PubChem CID 121416204) has the molecular formula C19H24F3NO4 and a molecular weight of 387.40 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide
PubChem CID121416204
Molecular FormulaC19H24F3NO4
Molecular Weight387.40 g/mol
Exact Mass387.17
IUPAC Name2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide
SMILESC=CCOC(COC1CCCCO1)C(NC(=O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C19H24F3NO4/c1-2-11-25-15(13-27-16-10-6-7-12-26-16)17(14-8-4-3-5-9-14)23-18(24)19(20,21)22/h2-5,8-9,15-17H,1,6-7,10-13H2,(H,23,24)
InChIKeyMOXTVARJPZMKEM-UHFFFAOYSA-N
XLogP3.52
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide (CID 121416204) is 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide is C=CCOC(COC1CCCCO1)C(NC(=O)C(F)(F)F)c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide?
The InChIKey is MOXTVARJPZMKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3NO4/c1-2-11-25-15(13-27-16-10-6-7-12-26-16)17(14-8-4-3-5-9-14)23-18(24)19(20,21)22/h2-5,8-9,15-17H,1,6-7,10-13H2,(H,23,24).
What are the key properties of 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide?
2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide has a molecular weight of 387.40 g/mol, XLogP of 3.52, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-(oxan-2-yloxy)-1-phenyl-2-prop-2-enoxypropyl]acetamide is sourced from PubChem (CID 121416204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).