N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide

C18H24F3NO3 — CID 55615806

IUPACN-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)NCCCOC1CCCCC1
InChIInChI=1S/C18H24F3NO3/c19-18(20,21)15-9-4-5-10-16(15)25-13-17(23)22-11-6-12-24-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,22,23)
InChIKeyZDWNMBUMNZHBNN-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.94
Rot. Bonds8

About N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide

N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide (PubChem CID 55615806) has the molecular formula C18H24F3NO3 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
PubChem CID55615806
Molecular FormulaC18H24F3NO3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC NameN-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide
SMILESO=C(COc1ccccc1C(F)(F)F)NCCCOC1CCCCC1
InChIInChI=1S/C18H24F3NO3/c19-18(20,21)15-9-4-5-10-16(15)25-13-17(23)22-11-6-12-24-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,22,23)
InChIKeyZDWNMBUMNZHBNN-UHFFFAOYSA-N
XLogP3.94
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide (CID 55615806) is N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide is O=C(COc1ccccc1C(F)(F)F)NCCCOC1CCCCC1.
What is the InChIKey of N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ZDWNMBUMNZHBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO3/c19-18(20,21)15-9-4-5-10-16(15)25-13-17(23)22-11-6-12-24-14-7-2-1-3-8-14/h4-5,9-10,14H,1-3,6-8,11-13H2,(H,22,23).
What are the key properties of N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide?
N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 359.39 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyloxypropyl)-2-[2-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 55615806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).