N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide

C16H20F3NO3 — CID 51091401

IUPACN-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESCOCCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C16H20F3NO3/c1-22-10-7-20-14(21)15(5-8-23-9-6-15)12-3-2-4-13(11-12)16(17,18)19/h2-4,11H,5-10H2,1H3,(H,20,21)
InChIKeyKBOWJMDVAAGNJW-UHFFFAOYSA-N
MW331.33 g/mol
LogP2.52
Rot. Bonds5

About N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide

N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide (PubChem CID 51091401) has the molecular formula C16H20F3NO3 and a molecular weight of 331.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
PubChem CID51091401
Molecular FormulaC16H20F3NO3
Molecular Weight331.33 g/mol
Exact Mass331.14
IUPAC NameN-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
SMILESCOCCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1
InChIInChI=1S/C16H20F3NO3/c1-22-10-7-20-14(21)15(5-8-23-9-6-15)12-3-2-4-13(11-12)16(17,18)19/h2-4,11H,5-10H2,1H3,(H,20,21)
InChIKeyKBOWJMDVAAGNJW-UHFFFAOYSA-N
XLogP2.52
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 52.52
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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Related Compounds

N-(2-ethoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 51092273
N-(4-morpholin-4-ylbutyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 47889696
benzyl 2-[[4-[3-(trifluoromethyl)phenyl]oxane-4-carbonyl]amino]acetate
CID 60566825
4-(3-chlorophenyl)-N-[2-(2-methoxyethylamino)-2-oxoethyl]oxane-4-carboxamide
CID 60566039
N-(oxan-4-yl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 71886913
methyl (E)-5-[[1-[3-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]pent-2-enoate
CID 146099987
3-[[1-[3-(trifluoromethyl)phenyl]cyclopentanecarbonyl]amino]propanoic acid
CID 119177258
N-[2-(4-aminophenyl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119549712
2-(2-methoxyethylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]acetamide
CID 119772784
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 86888597
N-(3-nitrophenyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60567198

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide (CID 51091401) is N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide is COCCNC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1.
What is the InChIKey of N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
The InChIKey is KBOWJMDVAAGNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO3/c1-22-10-7-20-14(21)15(5-8-23-9-6-15)12-3-2-4-13(11-12)16(17,18)19/h2-4,11H,5-10H2,1H3,(H,20,21).
What are the key properties of N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide?
N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide has a molecular weight of 331.33 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-[3-(trifluoromethyl)phenyl]oxane-4-carboxamide is sourced from PubChem (CID 51091401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).