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

C19H24F3NO — CID 88635399

IUPAC(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H24F3NO/c1-15(2)14-23-18(24)12-7-5-3-4-6-9-16-10-8-11-17(13-16)19(20,21)22/h3,5,7-8,10-13,15H,4,6,9,14H2,1-2H3,(H,23,24)/b5-3+,12-7+
InChIKeyXEROLFQRBIFXSG-PPRDQHCASA-N
MW339.40 g/mol
LogP4.91
Rot. Bonds8

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

(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide (PubChem CID 88635399) has the molecular formula C19H24F3NO and a molecular weight of 339.40 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
PubChem CID88635399
Molecular FormulaC19H24F3NO
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/CCCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H24F3NO/c1-15(2)14-23-18(24)12-7-5-3-4-6-9-16-10-8-11-17(13-16)19(20,21)22/h3,5,7-8,10-13,15H,4,6,9,14H2,1-2H3,(H,23,24)/b5-3+,12-7+
InChIKeyXEROLFQRBIFXSG-PPRDQHCASA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Related Compounds

(2E,4E)-N-(oxolan-3-ylmethyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 89484445
(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
CID 88635219
(2E,4E)-N-(2-methylpropyl)-5-[2-[3-(trifluoromethyl)phenyl]cyclopropyl]penta-2,4-dienamide
CID 19770012
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
CID 5281870
N-(2-methylpropyl)-2-[[3-(trifluoromethyl)phenyl]methylamino]propanamide
CID 43087745
9-(7-fluoronaphthalen-1-yl)oxy-N-(2-methylpropyl)nona-2,4-dienamide
CID 173408172
(2E,4E)-10-hydroxy-N-(2-methylpropyl)deca-2,4-dienamide
CID 88665228
propan-2-one;3-[3-(trifluoromethyl)phenyl]propanal
CID 142437514
(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
CID 88710784
(2E,4E)-N-(2-methylpropyl)-11-naphthalen-1-yloxyundeca-2,4-dienamide
CID 88665225
2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 64665232
(2R)-3-methyl-2-[4-[3-(trifluoromethyl)phenyl]butylamino]butanoic acid
CID 122124293

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide (CID 88635399) is (2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/CCCc1cccc(C(F)(F)F)c1.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide?
The InChIKey is XEROLFQRBIFXSG-PPRDQHCASA-N. The full InChI is InChI=1S/C19H24F3NO/c1-15(2)14-23-18(24)12-7-5-3-4-6-9-16-10-8-11-17(13-16)19(20,21)22/h3,5,7-8,10-13,15H,4,6,9,14H2,1-2H3,(H,23,24)/b5-3+,12-7+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide has a molecular weight of 339.40 g/mol, XLogP of 4.91, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide is sourced from PubChem (CID 88635399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).