2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide

C24H28F3N3O3 — CID 57414470

IUPAC2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide
SMILESC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(NCC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C24H28F3N3O3/c1-17(30-33-16-19-2-6-21(7-3-19)24(25,26)27)20-4-8-22(9-5-20)28-15-23(31)29-14-18-10-12-32-13-11-18/h2-9,18,28H,10-16H2,1H3,(H,29,31)/b30-17+
InChIKeyQHEZBVITCXFTRN-OCSSWDANSA-N
MW463.50 g/mol
LogP4.60
Rot. Bonds9

About 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide

2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide (PubChem CID 57414470) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide
PubChem CID57414470
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC Name2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide
SMILESC/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(NCC(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C24H28F3N3O3/c1-17(30-33-16-19-2-6-21(7-3-19)24(25,26)27)20-4-8-22(9-5-20)28-15-23(31)29-14-18-10-12-32-13-11-18/h2-9,18,28H,10-16H2,1H3,(H,29,31)/b30-17+
InChIKeyQHEZBVITCXFTRN-OCSSWDANSA-N
XLogP4.60
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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Related Compounds

CID 172115275
CID 172115275
CID 57414195
CID 57414195
CID 57992845
CID 57992845
CID 76528444
CID 76528444
CID 76528519
CID 76528519
CID 86699622
CID 86699622
CID 86699625
CID 86699625
CID 86699626
CID 86699626
CID 88921361
CID 88921361
CID 88921486
CID 88921486
CID 89858027
CID 89858027
CID 89858063
CID 89858063

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide?
The IUPAC name of 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide (CID 57414470) is 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide?
The canonical SMILES for 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide is C/C(=N\OCc1ccc(C(F)(F)F)cc1)c1ccc(NCC(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide?
The InChIKey is QHEZBVITCXFTRN-OCSSWDANSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c1-17(30-33-16-19-2-6-21(7-3-19)24(25,26)27)20-4-8-22(9-5-20)28-15-23(31)29-14-18-10-12-32-13-11-18/h2-9,18,28H,10-16H2,1H3,(H,29,31)/b30-17+.
What are the key properties of 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide?
2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide has a molecular weight of 463.50 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(E)-C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]anilino]-N-(oxan-4-ylmethyl)acetamide is sourced from PubChem (CID 57414470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).