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

C23H26F3NO4 — CID 100784364

IUPACN-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C23H26F3NO4/c1-16-3-5-17(6-4-16)22(9-11-30-12-10-22)21(28)27-18-7-8-20(31-14-13-29-2)19(15-18)23(24,25)26/h3-8,15H,9-14H2,1-2H3,(H,27,28)
InChIKeyNYYBZNNBWIIIOL-UHFFFAOYSA-N
MW437.46 g/mol
LogP4.73
Rot. Bonds7

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

N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide (PubChem CID 100784364) has the molecular formula C23H26F3NO4 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide.

Molecular Properties

Compound NameN-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
PubChem CID100784364
Molecular FormulaC23H26F3NO4
Molecular Weight437.46 g/mol
Exact Mass437.18
IUPAC NameN-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
SMILESCOCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C(F)(F)F
InChIInChI=1S/C23H26F3NO4/c1-16-3-5-17(6-4-16)22(9-11-30-12-10-22)21(28)27-18-7-8-20(31-14-13-29-2)19(15-18)23(24,25)26/h3-8,15H,9-14H2,1-2H3,(H,27,28)
InChIKeyNYYBZNNBWIIIOL-UHFFFAOYSA-N
XLogP4.73
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.46
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenyl)-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 100784348
N-(3-amino-4-methoxyphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 119419519
N-[3-chloro-4-(2-methoxyethoxy)phenyl]-1-(4-methylphenyl)cyclohexane-1-carboxamide
CID 100672829
4-(3-fluorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 60582725
N-(2-methoxy-5-methylphenyl)-4-(4-methylphenyl)oxane-4-carboxamide
CID 75537653
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide;hydrochloride
CID 120604864
ethyl 5-[[4-(4-fluorophenyl)oxane-4-carbonyl]amino]-2-propoxybenzoate
CID 100749097
N-[4-[2-(dimethylamino)ethoxy]phenyl]-4-(4-methylphenyl)oxane-4-carboxamide
CID 99082650
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[3-fluoro-4-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 67987772
N-(4-methoxy-3-methylphenyl)-4-phenyloxane-4-carboxamide
CID 94637576
N-(3-methyl-4-propoxyphenyl)-4-(4-nitrophenyl)oxane-4-carboxamide
CID 100680217
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-[4-cyano-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 57405879

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide?
The IUPAC name of N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide (CID 100784364) is N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide.
What is the SMILES notation for N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide?
The canonical SMILES for N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide is COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide?
The InChIKey is NYYBZNNBWIIIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3NO4/c1-16-3-5-17(6-4-16)22(9-11-30-12-10-22)21(28)27-18-7-8-20(31-14-13-29-2)19(15-18)23(24,25)26/h3-8,15H,9-14H2,1-2H3,(H,27,28).
What are the key properties of N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide?
N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-4-(4-methylphenyl)oxane-4-carboxamide is sourced from PubChem (CID 100784364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).