N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide

C24H28F3N3O3 — CID 88921361

IUPACN-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide
SMILESO=C(CNc1ccc(CC=NOCc2ccc(C(F)(F)F)cc2)cc1)NCC1CCOCC1
InChIInChI=1S/C24H28F3N3O3/c25-24(26,27)21-5-1-20(2-6-21)17-33-30-12-9-18-3-7-22(8-4-18)28-16-23(31)29-15-19-10-13-32-14-11-19/h1-8,12,19,28H,9-11,13-17H2,(H,29,31)
InChIKeyOBTGZQMXQKWAME-UHFFFAOYSA-N
MW463.50 g/mol
LogP4.41
Rot. Bonds10

About N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide

N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide (PubChem CID 88921361) has the molecular formula C24H28F3N3O3 and a molecular weight of 463.50 g/mol. Its IUPAC name is N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide
PubChem CID88921361
Molecular FormulaC24H28F3N3O3
Molecular Weight463.50 g/mol
Exact Mass463.21
IUPAC NameN-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide
SMILESO=C(CNc1ccc(CC=NOCc2ccc(C(F)(F)F)cc2)cc1)NCC1CCOCC1
InChIInChI=1S/C24H28F3N3O3/c25-24(26,27)21-5-1-20(2-6-21)17-33-30-12-9-18-3-7-22(8-4-18)28-16-23(31)29-15-19-10-13-32-14-11-19/h1-8,12,19,28H,9-11,13-17H2,(H,29,31)
InChIKeyOBTGZQMXQKWAME-UHFFFAOYSA-N
XLogP4.41
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.50
LogP ≤ 54.41
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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Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide?
The IUPAC name of N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide (CID 88921361) is N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide.
What is the SMILES notation for N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide?
The canonical SMILES for N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide is O=C(CNc1ccc(CC=NOCc2ccc(C(F)(F)F)cc2)cc1)NCC1CCOCC1.
What is the InChIKey of N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide?
The InChIKey is OBTGZQMXQKWAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N3O3/c25-24(26,27)21-5-1-20(2-6-21)17-33-30-12-9-18-3-7-22(8-4-18)28-16-23(31)29-15-19-10-13-32-14-11-19/h1-8,12,19,28H,9-11,13-17H2,(H,29,31).
What are the key properties of N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide?
N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide has a molecular weight of 463.50 g/mol, XLogP of 4.41, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethyl)-2-[4-[2-[[4-(trifluoromethyl)phenyl]methoxyimino]ethyl]anilino]acetamide is sourced from PubChem (CID 88921361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).