N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide

C21H22F3NO3 — CID 56765459

IUPACN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)17-8-6-15(7-9-17)18(26)14-25-19(27)20(10-12-28-13-11-20)16-4-2-1-3-5-16/h1-9,18,26H,10-14H2,(H,25,27)
InChIKeyRQOQLDYJNXHYGE-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.60
Rot. Bonds5

About N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide

N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide (PubChem CID 56765459) has the molecular formula C21H22F3NO3 and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide
PubChem CID56765459
Molecular FormulaC21H22F3NO3
Molecular Weight393.41 g/mol
Exact Mass393.16
IUPAC NameN-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide
SMILESO=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H22F3NO3/c22-21(23,24)17-8-6-15(7-9-17)18(26)14-25-19(27)20(10-12-28-13-11-20)16-4-2-1-3-5-16/h1-9,18,26H,10-14H2,(H,25,27)
InChIKeyRQOQLDYJNXHYGE-UHFFFAOYSA-N
XLogP3.60
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-phenylethyl)-2-(4-methylphenyl)acetamide
CID 5079333
Methyl 2-[4-[2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]propyl]phenyl]-2-methylpropanoate;hydrobromide
CID 44522717
Isonipecotic acid, 1-(beta-hydroxyphenethyl)-4-phenyl-, ethyl ester, hydrochloride
CID 56862
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2,2-diphenylacetamide
CID 56765464
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]tetradecanamide
CID 71453038
N-[2-hydroxy-2-(4-methylphenyl)ethyl]tetradecanamide
CID 71454782
N-[2-hydroxy-2-(4-propylphenyl)ethyl]tetradecanamide
CID 71458405
N-[2-(4-ethylphenyl)-2-hydroxyethyl]tetradecanamide
CID 71460247
1-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-N-propylpiperidine-4-carboxamide
CID 53512872
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)pent-4-enamide
CID 56765421
2-(2-chlorophenyl)-N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}acetamide
CID 56765440
N-{2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}adamantane-1-carboxamide
CID 56765449

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide (CID 56765459) is N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide is O=C(NCC(O)c1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is RQOQLDYJNXHYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3NO3/c22-21(23,24)17-8-6-15(7-9-17)18(26)14-25-19(27)20(10-12-28-13-11-20)16-4-2-1-3-5-16/h1-9,18,26H,10-14H2,(H,25,27).
What are the key properties of N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide?
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 393.41 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 56765459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).