(2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide

C24H34F3NO2S — CID 19812075

IUPAC(2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide
SMILESCC(/C=C/CCCCCCOCc1ccc(SC(F)(F)F)cc1)=C\C(=O)NCC(C)C
InChIInChI=1S/C24H34F3NO2S/c1-19(2)17-28-23(29)16-20(3)10-8-6-4-5-7-9-15-30-18-21-11-13-22(14-12-21)31-24(25,26)27/h8,10-14,16,19H,4-7,9,15,17-18H2,1-3H3,(H,28,29)/b10-8+,20-16+
InChIKeyGPRZBWFMYFNAKE-GSRJGYJVSA-N
MW457.60 g/mol
LogP7.04
Rot. Bonds14

About (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide

(2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide (PubChem CID 19812075) has the molecular formula C24H34F3NO2S and a molecular weight of 457.60 g/mol. Its IUPAC name is (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide
PubChem CID19812075
Molecular FormulaC24H34F3NO2S
Molecular Weight457.60 g/mol
Exact Mass457.23
IUPAC Name(2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide
SMILESCC(/C=C/CCCCCCOCc1ccc(SC(F)(F)F)cc1)=C\C(=O)NCC(C)C
InChIInChI=1S/C24H34F3NO2S/c1-19(2)17-28-23(29)16-20(3)10-8-6-4-5-7-9-15-30-18-21-11-13-22(14-12-21)31-24(25,26)27/h8,10-14,16,19H,4-7,9,15,17-18H2,1-3H3,(H,28,29)/b10-8+,20-16+
InChIKeyGPRZBWFMYFNAKE-GSRJGYJVSA-N
XLogP7.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.60
LogP ≤ 57.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-methyl-N-(2-methylpropyl)undeca-2,4-dienamide
CID 15766804
(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-5-methyl-N-(2-methylpropyl)undeca-2,4-dienamide
CID 15766805
(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,5-dimethyl-N-(2-methylpropyl)undeca-2,4-dienamide
CID 15766806
(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide
CID 15766807
(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-fluoro-3-methyl-N-(2-methylpropyl)undeca-2,4-dienamide
CID 19801154
(2E,4E)-N-(2-methylpropyl)-9-[[3-(trifluoromethyl)phenyl]methoxy]nona-2,4-dienamide
CID 19892304
(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-N-(2-methylpropyl)undeca-2,4-dienamide
CID 20157320
(2E,4E)-N-(2-methylbutyl)-9-[[3-(trifluoromethyl)phenyl]methoxy]nona-2,4-dienamide
CID 20157322
N-isobutyl 11-(3'trifluoromethylbenzyloxy)-(2E,4E)-undecadienamide
CID 20157325
11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-methyl-N-(2-methylprop-2-enyl)undeca-2,4-dienamide
CID 53724450
N-(2-methylpropyl)-11-[[3-(trifluoromethyl)phenyl]methoxy]undeca-2,4-dienamide
CID 53767005
11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(fluoromethyl)-N-(3-methylbutan-2-yl)undeca-2,4-dienamide
CID 53778317

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide?
The IUPAC name of (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide (CID 19812075) is (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide is CC(/C=C/CCCCCCOCc1ccc(SC(F)(F)F)cc1)=C\C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide?
The InChIKey is GPRZBWFMYFNAKE-GSRJGYJVSA-N. The full InChI is InChI=1S/C24H34F3NO2S/c1-19(2)17-28-23(29)16-20(3)10-8-6-4-5-7-9-15-30-18-21-11-13-22(14-12-21)31-24(25,26)27/h8,10-14,16,19H,4-7,9,15,17-18H2,1-3H3,(H,28,29)/b10-8+,20-16+.
What are the key properties of (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide?
(2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide has a molecular weight of 457.60 g/mol, XLogP of 7.04, 14 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide is sourced from PubChem (CID 19812075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).