N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide

C22H25F3N2O3 — CID 169092863

IUPACN-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide
SMILESCOCCCCC(=NOCCNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N2O3/c1-29-15-6-5-9-20(17-10-12-19(13-11-17)22(23,24)25)27-30-16-14-26-21(28)18-7-3-2-4-8-18/h2-4,7-8,10-13H,5-6,9,14-16H2,1H3,(H,26,28)
InChIKeyDETCVBZEINIWMU-UHFFFAOYSA-N
MW422.45 g/mol
LogP4.67
Rot. Bonds11

About N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide

N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide (PubChem CID 169092863) has the molecular formula C22H25F3N2O3 and a molecular weight of 422.45 g/mol. Its IUPAC name is N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide.

Molecular Properties

Compound NameN-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide
PubChem CID169092863
Molecular FormulaC22H25F3N2O3
Molecular Weight422.45 g/mol
Exact Mass422.18
IUPAC NameN-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide
SMILESCOCCCCC(=NOCCNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C22H25F3N2O3/c1-29-15-6-5-9-20(17-10-12-19(13-11-17)22(23,24)25)27-30-16-14-26-21(28)18-7-3-2-4-8-18/h2-4,7-8,10-13H,5-6,9,14-16H2,1H3,(H,26,28)
InChIKeyDETCVBZEINIWMU-UHFFFAOYSA-N
XLogP4.67
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[1-[2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethylcarbamoyloxy]-2-methylpropyl] 2-amino-2-phenylacetate;2,2,2-trifluoroacetic acid
CID 146469578
[1-[2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethylcarbamoyloxy]-2-methylpropyl] 2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylacetate
CID 146469577
tert-butyl N-[2-[(E)-[5-hydroxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]carbamate
CID 46780860
(Z)-but-2-enedioic acid;1,1,2,2-tetradeuterio-2-[(Z)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
CID 119090957
(E)-but-2-enedioic acid;1,1,2,2-tetradeuterio-2-[(E)-[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
CID 170907862
but-2-enedioic acid;2-[(E)-[5-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
CID 172951143
2-[(Z)-[5-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
CID 131708504
(5Z)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 10313784
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[6-(2-methoxyethylamino)-6-oxohexyl]benzamide
CID 110839208
octyl 3-[[4-(trifluoromethyl)benzoyl]amino]propanoate
CID 91726390
N-(3-methoxypropyl)-2-[4-(trifluoromethyl)phenyl]benzamide
CID 35513604

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide?
The IUPAC name of N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide (CID 169092863) is N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide.
What is the SMILES notation for N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide?
The canonical SMILES for N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide is COCCCCC(=NOCCNC(=O)c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide?
The InChIKey is DETCVBZEINIWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O3/c1-29-15-6-5-9-20(17-10-12-19(13-11-17)22(23,24)25)27-30-16-14-26-21(28)18-7-3-2-4-8-18/h2-4,7-8,10-13H,5-6,9,14-16H2,1H3,(H,26,28).
What are the key properties of N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide?
N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide has a molecular weight of 422.45 g/mol, XLogP of 4.67, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]benzamide is sourced from PubChem (CID 169092863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).