(E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide

C23H34F3NO2 — CID 73425895

IUPAC(E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)NCc1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C23H34F3NO2/c1-3-4-5-6-8-11-21(29-2)12-9-7-10-13-22(28)27-18-19-14-16-20(17-15-19)23(24,25)26/h7,9,14-17,21H,3-6,8,10-13,18H2,1-2H3,(H,27,28)/b9-7+/t21-/m0/s1
InChIKeyZDKMNAFGJQEZFU-OEAKIKGJSA-N
MW413.52 g/mol
LogP6.42
Rot. Bonds14

About (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide

(E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide (PubChem CID 73425895) has the molecular formula C23H34F3NO2 and a molecular weight of 413.52 g/mol. Its IUPAC name is (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide.

Molecular Properties

Compound Name(E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide
PubChem CID73425895
Molecular FormulaC23H34F3NO2
Molecular Weight413.52 g/mol
Exact Mass413.25
IUPAC Name(E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide
SMILESCCCCCCC[C@@H](C/C=C/CCC(=O)NCc1ccc(C(F)(F)F)cc1)OC
InChIInChI=1S/C23H34F3NO2/c1-3-4-5-6-8-11-21(29-2)12-9-7-10-13-22(28)27-18-19-14-16-20(17-15-19)23(24,25)26/h7,9,14-17,21H,3-6,8,10-13,18H2,1-2H3,(H,27,28)/b9-7+/t21-/m0/s1
InChIKeyZDKMNAFGJQEZFU-OEAKIKGJSA-N
XLogP6.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.52
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 110480479
N-[[4-[(octanoylamino)methyl]phenyl]methyl]octanamide
CID 3350050
(E)-N-benzylhexadec-4-enamide
CID 175178729
7-sulfanyl-N-[[4-(trifluoromethyl)phenyl]methyl]heptanamide
CID 118721865
6-oxo-6-[[4-(trifluoromethyl)phenyl]methylamino]hexanoic acid
CID 62880956
(E,7S)-7-methoxy-N-methyl-N-(2-phenylethyl)tetradec-4-enamide
CID 46185890
5-bromo-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 114014911
N-[(4-bromophenyl)methyl]octanamide
CID 60582799
N-[(4-propan-2-yloxyphenyl)methyl]tetradecanamide
CID 54792167
[2-methoxy-4-[[[(Z,12R)-12-(2-phenylacetyl)oxyoctadec-9-enoyl]amino]methyl]phenyl] 2-phenylacetate
CID 135012358
[(Z,7R)-18-[(4-hydroxy-3-methoxyphenyl)methylamino]-18-oxooctadec-9-en-7-yl] 2-phenylacetate
CID 25171466
3-(ethylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]propanamide
CID 55129127

Frequently Asked Questions

What is the IUPAC name of (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide?
The IUPAC name of (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide (CID 73425895) is (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide.
What is the SMILES notation for (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide?
The canonical SMILES for (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide is CCCCCCC[C@@H](C/C=C/CCC(=O)NCc1ccc(C(F)(F)F)cc1)OC.
What is the InChIKey of (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide?
The InChIKey is ZDKMNAFGJQEZFU-OEAKIKGJSA-N. The full InChI is InChI=1S/C23H34F3NO2/c1-3-4-5-6-8-11-21(29-2)12-9-7-10-13-22(28)27-18-19-14-16-20(17-15-19)23(24,25)26/h7,9,14-17,21H,3-6,8,10-13,18H2,1-2H3,(H,27,28)/b9-7+/t21-/m0/s1.
What are the key properties of (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide?
(E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide has a molecular weight of 413.52 g/mol, XLogP of 6.42, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,7S)-7-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]tetradec-4-enamide is sourced from PubChem (CID 73425895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).