2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide

C25H29F3N2O5 — CID 57414739

IUPAC2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESCOC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C25H29F3N2O5/c1-32-16-23(30-35-15-19-2-6-21(7-3-19)25(26,27)28)20-4-8-22(9-5-20)34-17-24(31)29-14-18-10-12-33-13-11-18/h2-9,18H,10-17H2,1H3,(H,29,31)/b30-23+
InChIKeyUCPBAPCAUOBDQW-JJKYIXSRSA-N
MW494.51 g/mol
LogP4.19
Rot. Bonds11

About 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide

2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 57414739) has the molecular formula C25H29F3N2O5 and a molecular weight of 494.51 g/mol. Its IUPAC name is 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
PubChem CID57414739
Molecular FormulaC25H29F3N2O5
Molecular Weight494.51 g/mol
Exact Mass494.20
IUPAC Name2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide
SMILESCOC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C25H29F3N2O5/c1-32-16-23(30-35-15-19-2-6-21(7-3-19)25(26,27)28)20-4-8-22(9-5-20)34-17-24(31)29-14-18-10-12-33-13-11-18/h2-9,18H,10-17H2,1H3,(H,29,31)/b30-23+
InChIKeyUCPBAPCAUOBDQW-JJKYIXSRSA-N
XLogP4.19
TPSA78.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.51
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide (CID 57414739) is 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is COC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(OCC(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is UCPBAPCAUOBDQW-JJKYIXSRSA-N. The full InChI is InChI=1S/C25H29F3N2O5/c1-32-16-23(30-35-15-19-2-6-21(7-3-19)25(26,27)28)20-4-8-22(9-5-20)34-17-24(31)29-14-18-10-12-33-13-11-18/h2-9,18H,10-17H2,1H3,(H,29,31)/b30-23+.
What are the key properties of 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide?
2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 494.51 g/mol, XLogP of 4.19, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(Z)-C-(methoxymethyl)-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]phenoxy]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 57414739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).