2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide

C24H44F3N3O11 — CID 58831474

IUPAC2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
SMILESCOCCOCCOCCOCCNC(=O)CNC(=O)CN(CCOCCOCCOCCOC)C(=O)C(F)(F)F
InChIInChI=1S/C24H44F3N3O11/c1-34-7-9-38-15-17-40-13-11-36-5-3-28-21(31)19-29-22(32)20-30(23(33)24(25,26)27)4-6-37-12-14-41-18-16-39-10-8-35-2/h3-20H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyQWNRHFYFBHGAAU-UHFFFAOYSA-N
MW607.62 g/mol
LogP-1.00
Rot. Bonds28

About 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide (PubChem CID 58831474) has the molecular formula C24H44F3N3O11 and a molecular weight of 607.62 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
PubChem CID58831474
Molecular FormulaC24H44F3N3O11
Molecular Weight607.62 g/mol
Exact Mass607.29
IUPAC Name2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide
SMILESCOCCOCCOCCOCCNC(=O)CNC(=O)CN(CCOCCOCCOCCOC)C(=O)C(F)(F)F
InChIInChI=1S/C24H44F3N3O11/c1-34-7-9-38-15-17-40-13-11-36-5-3-28-21(31)19-29-22(32)20-30(23(33)24(25,26)27)4-6-37-12-14-41-18-16-39-10-8-35-2/h3-20H2,1-2H3,(H,28,31)(H,29,32)
InChIKeyQWNRHFYFBHGAAU-UHFFFAOYSA-N
XLogP-1.00
TPSA152.35 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.62
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide (CID 58831474) is 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide is COCCOCCOCCOCCNC(=O)CNC(=O)CN(CCOCCOCCOCCOC)C(=O)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
The InChIKey is QWNRHFYFBHGAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H44F3N3O11/c1-34-7-9-38-15-17-40-13-11-36-5-3-28-21(31)19-29-22(32)20-30(23(33)24(25,26)27)4-6-37-12-14-41-18-16-39-10-8-35-2/h3-20H2,1-2H3,(H,28,31)(H,29,32).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide has a molecular weight of 607.62 g/mol, XLogP of -1.00, 28 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-N-[2-[[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethylamino]-2-oxoethyl]amino]-2-oxoethyl]acetamide is sourced from PubChem (CID 58831474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).