4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide

C22H24F3NO4 — CID 134791039

IUPAC4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)CCOCC2)cc1
InChIInChI=1S/C22H24F3NO4/c1-26(15-16-3-7-19(8-4-16)30-22(23,24)25)20(27)21(11-13-29-14-12-21)17-5-9-18(28-2)10-6-17/h3-10H,11-15H2,1-2H3
InChIKeyHHOGAVAAYWYVGX-UHFFFAOYSA-N
MW423.43 g/mol
LogP4.30
Rot. Bonds6

About 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide

4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide (PubChem CID 134791039) has the molecular formula C22H24F3NO4 and a molecular weight of 423.43 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
PubChem CID134791039
Molecular FormulaC22H24F3NO4
Molecular Weight423.43 g/mol
Exact Mass423.17
IUPAC Name4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide
SMILESCOc1ccc(C2(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)CCOCC2)cc1
InChIInChI=1S/C22H24F3NO4/c1-26(15-16-3-7-19(8-4-16)30-22(23,24)25)20(27)21(11-13-29-14-12-21)17-5-9-18(28-2)10-6-17/h3-10H,11-15H2,1-2H3
InChIKeyHHOGAVAAYWYVGX-UHFFFAOYSA-N
XLogP4.30
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide?
The IUPAC name of 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide (CID 134791039) is 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide is COc1ccc(C2(C(=O)N(C)Cc3ccc(OC(F)(F)F)cc3)CCOCC2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide?
The InChIKey is HHOGAVAAYWYVGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3NO4/c1-26(15-16-3-7-19(8-4-16)30-22(23,24)25)20(27)21(11-13-29-14-12-21)17-5-9-18(28-2)10-6-17/h3-10H,11-15H2,1-2H3.
What are the key properties of 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide?
4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-N-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]oxane-4-carboxamide is sourced from PubChem (CID 134791039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).