2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide

C22H30F6N2O8 — CID 91358246

IUPAC2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide
SMILESCOCCOCCOCCOc1ccc(C)c(OCCNC(=O)C(F)(F)F)c1OCCNC(=O)C(F)(F)F
InChIInChI=1S/C22H30F6N2O8/c1-15-3-4-16(36-14-13-35-12-11-34-10-9-33-2)18(38-8-6-30-20(32)22(26,27)28)17(15)37-7-5-29-19(31)21(23,24)25/h3-4H,5-14H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyPRSXQROCKUAXSY-UHFFFAOYSA-N
MW564.48 g/mol
LogP2.17
Rot. Bonds18

About 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide

2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide (PubChem CID 91358246) has the molecular formula C22H30F6N2O8 and a molecular weight of 564.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide
PubChem CID91358246
Molecular FormulaC22H30F6N2O8
Molecular Weight564.48 g/mol
Exact Mass564.19
IUPAC Name2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide
SMILESCOCCOCCOCCOc1ccc(C)c(OCCNC(=O)C(F)(F)F)c1OCCNC(=O)C(F)(F)F
InChIInChI=1S/C22H30F6N2O8/c1-15-3-4-16(36-14-13-35-12-11-34-10-9-33-2)18(38-8-6-30-20(32)22(26,27)28)17(15)37-7-5-29-19(31)21(23,24)25/h3-4H,5-14H2,1-2H3,(H,29,31)(H,30,32)
InChIKeyPRSXQROCKUAXSY-UHFFFAOYSA-N
XLogP2.17
TPSA113.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500564.48
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 2063074
N-[2-[(7-chloro-1H-indol-4-yl)oxy]ethyl]-2,2,2-trifluoroacetamide
CID 57228366
1-[2-(2,6-dimethylphenoxy)ethyl]-3-(2-methoxyethyl)urea
CID 47216835
1-(2-methoxyethoxy)-4-methylnaphthalene
CID 90431362
2-[2-(2-methoxyethoxy)ethoxy]-1,3-dimethylbenzene
CID 83057558
2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 86639757
2-(4-amino-2-methylphenoxy)-2,2-difluoro-N-(3-methoxypropyl)acetamide
CID 162556705
2,2,2-trifluoro-N-[2-[6-(4-methylphenyl)pyridazin-3-yl]oxyethyl]acetamide
CID 18589518
1-[2,3-bis(2-methoxyethoxy)-4-methylphenyl]ethanone
CID 123152359
N-[2-[2-(4-tert-butyl-2-methylphenoxy)ethoxy]ethyl]-3-methoxypropan-1-amine;oxalic acid
CID 2922716
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,5,8-trimethylnaphthalene
CID 126699729
N-[2-(2,6-dimethylphenoxy)ethyl]-3,4-dimethoxybenzamide
CID 2173279

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide (CID 91358246) is 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide is COCCOCCOCCOc1ccc(C)c(OCCNC(=O)C(F)(F)F)c1OCCNC(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide?
The InChIKey is PRSXQROCKUAXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30F6N2O8/c1-15-3-4-16(36-14-13-35-12-11-34-10-9-33-2)18(38-8-6-30-20(32)22(26,27)28)17(15)37-7-5-29-19(31)21(23,24)25/h3-4H,5-14H2,1-2H3,(H,29,31)(H,30,32).
What are the key properties of 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide has a molecular weight of 564.48 g/mol, XLogP of 2.17, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-6-methyl-2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenoxy]ethyl]acetamide is sourced from PubChem (CID 91358246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).