3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide

C19H34F4N2O11 — CID 160829035

About 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide

3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide (PubChem CID 160829035) has the molecular formula C19H34F4N2O11 and a molecular weight of 542.48 g/mol. Its IUPAC name is 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide.

Molecular Properties

• Compound Name: 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide
• PubChem CID: 160829035
• Molecular Formula: C19H34F4N2O11
• Molecular Weight: 542.48 g/mol
• Exact Mass: 542.21
• IUPAC Name: 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide
• SMILES: NC(=O)CCOCC(O)COCCOCOCC(F)(F)OC(F)(F)COCC(O)COCCC(N)=O
• InChI: InChI=1S/C19H34F4N2O11/c20-18(21,11-34-10-15(27)8-31-4-2-17(25)29)36-19(22,23)12-35-13-33-6-5-32-9-14(26)7-30-3-1-16(24)28/h14-15,26-27H,1-13H2,(H2,24,28)(H2,25,29)
• InChIKey: SGOCADYAMMSQFG-UHFFFAOYSA-N
• XLogP: -1.28
• TPSA: 191.25 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 25
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	542.48
LogP ≤ 5	-1.28
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide?

The IUPAC name of 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide (CID 160829035) is 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide.

What is the SMILES notation for 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide?

The canonical SMILES for 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide is NC(=O)CCOCC(O)COCCOCOCC(F)(F)OC(F)(F)COCC(O)COCCC(N)=O.

What is the InChIKey of 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide?

The InChIKey is SGOCADYAMMSQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F4N2O11/c20-18(21,11-34-10-15(27)8-31-4-2-17(25)29)36-19(22,23)12-35-13-33-6-5-32-9-14(26)7-30-3-1-16(24)28/h14-15,26-27H,1-13H2,(H2,24,28)(H2,25,29).

What are the key properties of 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide?

3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide has a molecular weight of 542.48 g/mol, XLogP of -1.28, 25 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[2-[[2-[2-[3-(3-amino-3-oxopropoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-2-hydroxypropoxy]propanamide is sourced from PubChem (CID 160829035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).