2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide

C27H25F6NO3 — CID 58898130

IUPAC2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOCCOCC(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H25F6NO3/c1-36-13-14-37-18-24(35)34-25(17-19-7-3-2-4-8-19,20-9-5-11-22(15-20)26(28,29)30)21-10-6-12-23(16-21)27(31,32)33/h2-12,15-16H,13-14,17-18H2,1H3,(H,34,35)
InChIKeyRIQIDWGXZJZUKE-UHFFFAOYSA-N
MW525.49 g/mol
LogP5.99
Rot. Bonds10

About 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide

2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 58898130) has the molecular formula C27H25F6NO3 and a molecular weight of 525.49 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID58898130
Molecular FormulaC27H25F6NO3
Molecular Weight525.49 g/mol
Exact Mass525.17
IUPAC Name2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCOCCOCC(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H25F6NO3/c1-36-13-14-37-18-24(35)34-25(17-19-7-3-2-4-8-19,20-9-5-11-22(15-20)26(28,29)30)21-10-6-12-23(16-21)27(31,32)33/h2-12,15-16H,13-14,17-18H2,1H3,(H,34,35)
InChIKeyRIQIDWGXZJZUKE-UHFFFAOYSA-N
XLogP5.99
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.49
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide (CID 58898130) is 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide is COCCOCC(=O)NC(Cc1ccccc1)(c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is RIQIDWGXZJZUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F6NO3/c1-36-13-14-37-18-24(35)34-25(17-19-7-3-2-4-8-19,20-9-5-11-22(15-20)26(28,29)30)21-10-6-12-23(16-21)27(31,32)33/h2-12,15-16H,13-14,17-18H2,1H3,(H,34,35).
What are the key properties of 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 525.49 g/mol, XLogP of 5.99, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 58898130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).