N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide

C26H26F3NO5 — CID 53465746

IUPACN-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(COc2cc(CCNC(=O)C(F)(F)F)cc(OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C26H26F3NO5/c1-32-21-7-3-18(4-8-21)16-34-23-13-20(11-12-30-25(31)26(27,28)29)14-24(15-23)35-17-19-5-9-22(33-2)10-6-19/h3-10,13-15H,11-12,16-17H2,1-2H3,(H,30,31)
InChIKeyVMFMRQNWUWYKBC-UHFFFAOYSA-N
MW489.49 g/mol
LogP5.08
Rot. Bonds11

About N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide

N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide (PubChem CID 53465746) has the molecular formula C26H26F3NO5 and a molecular weight of 489.49 g/mol. Its IUPAC name is N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide
PubChem CID53465746
Molecular FormulaC26H26F3NO5
Molecular Weight489.49 g/mol
Exact Mass489.18
IUPAC NameN-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide
SMILESCOc1ccc(COc2cc(CCNC(=O)C(F)(F)F)cc(OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C26H26F3NO5/c1-32-21-7-3-18(4-8-21)16-34-23-13-20(11-12-30-25(31)26(27,28)29)14-24(15-23)35-17-19-5-9-22(33-2)10-6-19/h3-10,13-15H,11-12,16-17H2,1-2H3,(H,30,31)
InChIKeyVMFMRQNWUWYKBC-UHFFFAOYSA-N
XLogP5.08
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.49
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2,3,3-tetrafluoro-N,N'-bis[2-(4-methoxyphenyl)ethyl]butanediamide
CID 2933838
2,2,2-trifluoro-N-[2-(2-iodo-5-methoxyphenyl)ethyl]acetamide
CID 22292772
N-[2-[4-[(4-methoxyphenyl)methoxy]phenyl]ethyl]prop-2-enamide
CID 177306579
2,2,2-trifluoro-N-(2-naphthalen-2-ylethyl)acetamide
CID 19963458
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
2,2,2-trifluoro-1-[4-[(4-methoxyphenyl)methoxy]phenyl]ethanone
CID 176890348
2-[3,5-bis(phenylmethoxy)phenyl]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 564164
2-(4-methoxyphenyl)-N-methylethanamine;2,2,2-trifluoroacetic acid
CID 69301984
2-amino-2-ethyl-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 68730670
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029
2,2,2-trifluoro-N-[2-(3-methoxy-4-trimethylsilyloxyphenyl)ethyl]acetamide
CID 553439
3-(2-hydroxyethyl)-5-[(4-methoxyphenyl)methoxy]phenol
CID 143727870

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide (CID 53465746) is N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide is COc1ccc(COc2cc(CCNC(=O)C(F)(F)F)cc(OCc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide?
The InChIKey is VMFMRQNWUWYKBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3NO5/c1-32-21-7-3-18(4-8-21)16-34-23-13-20(11-12-30-25(31)26(27,28)29)14-24(15-23)35-17-19-5-9-22(33-2)10-6-19/h3-10,13-15H,11-12,16-17H2,1-2H3,(H,30,31).
What are the key properties of N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide?
N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide has a molecular weight of 489.49 g/mol, XLogP of 5.08, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]ethyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 53465746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).