(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide

C26H35F6NO2 — CID 15766807

IUPAC(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide
SMILESCCC(/C=C/CCCCCCOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C\C(=O)NCC(C)C
InChIInChI=1S/C26H35F6NO2/c1-4-20(15-24(34)33-17-19(2)3)11-9-7-5-6-8-10-12-35-18-21-13-22(25(27,28)29)16-23(14-21)26(30,31)32/h9,11,13-16,19H,4-8,10,12,17-18H2,1-3H3,(H,33,34)/b11-9+,20-15+
InChIKeyZMJFXZFOMSGKOB-KWKPKBFNSA-N
MW507.56 g/mol
LogP7.86
Rot. Bonds14

About (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide

(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide (PubChem CID 15766807) has the molecular formula C26H35F6NO2 and a molecular weight of 507.56 g/mol. Its IUPAC name is (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide
PubChem CID15766807
Molecular FormulaC26H35F6NO2
Molecular Weight507.56 g/mol
Exact Mass507.26
IUPAC Name(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide
SMILESCCC(/C=C/CCCCCCOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C\C(=O)NCC(C)C
InChIInChI=1S/C26H35F6NO2/c1-4-20(15-24(34)33-17-19(2)3)11-9-7-5-6-8-10-12-35-18-21-13-22(25(27,28)29)16-23(14-21)26(30,31)32/h9,11,13-16,19H,4-8,10,12,17-18H2,1-3H3,(H,33,34)/b11-9+,20-15+
InChIKeyZMJFXZFOMSGKOB-KWKPKBFNSA-N
XLogP7.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.56
LogP ≤ 57.86
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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Related Compounds

ethyl (E,4R)-8-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]oct-2-enoate
CID 71729105
Fumaric acid, monoamide, N-allyl-, pentafluorobenzyl ester
CID 91727502
2,2,2-trifluoro-N-[(E,3R,6S)-2-methyl-6-(phenylmethoxymethoxy)hept-4-en-3-yl]acetamide
CID 10522461
benzyl N-(3,3,4,4,4-pentafluoro-1-methoxy-2-methylbutyl)carbamate
CID 135026093
ethyl (E,4S)-8-phenylmethoxy-4-[(2,2,2-trifluoroacetyl)amino]oct-2-enoate
CID 71729106
(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]-2-fluoro-3-methyl-N-(2-methylpropyl)undeca-2,4-dienamide
CID 19801154
(2E,4E)-11-[[2,4-bis(trifluoromethyl)phenyl]methoxy]-3-methyl-N-(2-methylpropyl)undeca-2,4-dienamide
CID 19812066
(2E,4E)-11-[(2-chloro-4-fluorophenyl)methoxy]-3-methyl-N-(2-methylpropyl)undeca-2,4-dienamide
CID 19812067
(2E,4E)-3-methyl-N-(2-methylpropyl)-11-[[4-(trifluoromethylsulfanyl)phenyl]methoxy]undeca-2,4-dienamide
CID 19812075

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide?
The IUPAC name of (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide (CID 15766807) is (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide.
What is the SMILES notation for (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide?
The canonical SMILES for (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide is CCC(/C=C/CCCCCCOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)=C\C(=O)NCC(C)C.
What is the InChIKey of (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide?
The InChIKey is ZMJFXZFOMSGKOB-KWKPKBFNSA-N. The full InChI is InChI=1S/C26H35F6NO2/c1-4-20(15-24(34)33-17-19(2)3)11-9-7-5-6-8-10-12-35-18-21-13-22(25(27,28)29)16-23(14-21)26(30,31)32/h9,11,13-16,19H,4-8,10,12,17-18H2,1-3H3,(H,33,34)/b11-9+,20-15+.
What are the key properties of (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide?
(2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide has a molecular weight of 507.56 g/mol, XLogP of 7.86, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-11-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-ethyl-N-(2-methylpropyl)undeca-2,4-dienamide is sourced from PubChem (CID 15766807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).