(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide

C20H24F3NO2 — CID 89484445

IUPAC(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
SMILESO=C(/C=C/C=C/CCCc1cccc(C(F)(F)F)c1)NCC1CCOC1
InChIInChI=1S/C20H24F3NO2/c21-20(22,23)18-9-6-8-16(13-18)7-4-2-1-3-5-10-19(25)24-14-17-11-12-26-15-17/h1,3,5-6,8-10,13,17H,2,4,7,11-12,14-15H2,(H,24,25)/b3-1+,10-5+
InChIKeyLVNGRRNSAOPBAU-MZCGDCDISA-N
MW367.41 g/mol
LogP4.29
Rot. Bonds8

About (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide

(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide (PubChem CID 89484445) has the molecular formula C20H24F3NO2 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
PubChem CID89484445
Molecular FormulaC20H24F3NO2
Molecular Weight367.41 g/mol
Exact Mass367.18
IUPAC Name(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
SMILESO=C(/C=C/C=C/CCCc1cccc(C(F)(F)F)c1)NCC1CCOC1
InChIInChI=1S/C20H24F3NO2/c21-20(22,23)18-9-6-8-16(13-18)7-4-2-1-3-5-10-19(25)24-14-17-11-12-26-15-17/h1,3,5-6,8-10,13,17H,2,4,7,11-12,14-15H2,(H,24,25)/b3-1+,10-5+
InChIKeyLVNGRRNSAOPBAU-MZCGDCDISA-N
XLogP4.29
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide (CID 89484445) is (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide is O=C(/C=C/C=C/CCCc1cccc(C(F)(F)F)c1)NCC1CCOC1.
What is the InChIKey of (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide?
The InChIKey is LVNGRRNSAOPBAU-MZCGDCDISA-N. The full InChI is InChI=1S/C20H24F3NO2/c21-20(22,23)18-9-6-8-16(13-18)7-4-2-1-3-5-10-19(25)24-14-17-11-12-26-15-17/h1,3,5-6,8-10,13,17H,2,4,7,11-12,14-15H2,(H,24,25)/b3-1+,10-5+.
What are the key properties of (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide?
(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide has a molecular weight of 367.41 g/mol, XLogP of 4.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide is sourced from PubChem (CID 89484445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).