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

C17H23F3N2O3 — CID 527100

IUPACN-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide
SMILESCOCCCCC(=NOCCNC(C)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-13(23)21-10-12-25-22-16(5-3-4-11-24-2)14-6-8-15(9-7-14)17(18,19)20/h6-9H,3-5,10-12H2,1-2H3,(H,21,23)
InChIKeyYSZVMERYCWDAMG-UHFFFAOYSA-N
MW360.38 g/mol
LogP3.38
Rot. Bonds10

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

N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide (PubChem CID 527100) has the molecular formula C17H23F3N2O3 and a molecular weight of 360.38 g/mol. Its IUPAC name is N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide
PubChem CID527100
Molecular FormulaC17H23F3N2O3
Molecular Weight360.38 g/mol
Exact Mass360.17
IUPAC NameN-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide
SMILESCOCCCCC(=NOCCNC(C)=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H23F3N2O3/c1-13(23)21-10-12-25-22-16(5-3-4-11-24-2)14-6-8-15(9-7-14)17(18,19)20/h6-9H,3-5,10-12H2,1-2H3,(H,21,23)
InChIKeyYSZVMERYCWDAMG-UHFFFAOYSA-N
XLogP3.38
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 53.38
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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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide?
The IUPAC name of N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide (CID 527100) is N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide.
What is the SMILES notation for N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide?
The canonical SMILES for N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide is COCCCCC(=NOCCNC(C)=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide?
The InChIKey is YSZVMERYCWDAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3/c1-13(23)21-10-12-25-22-16(5-3-4-11-24-2)14-6-8-15(9-7-14)17(18,19)20/h6-9H,3-5,10-12H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide?
N-[2-[[5-methoxy-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethyl]acetamide has a molecular weight of 360.38 g/mol, XLogP of 3.38, 10 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]acetamide is sourced from PubChem (CID 527100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).