3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide

C29H44F15N5O9 — CID 91440756

About 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide

3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (PubChem CID 91440756) has the molecular formula C29H44F15N5O9 and a molecular weight of 891.67 g/mol. Its IUPAC name is 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.

Molecular Properties

• Compound Name: 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
• PubChem CID: 91440756
• Molecular Formula: C29H44F15N5O9
• Molecular Weight: 891.67 g/mol
• Exact Mass: 891.29
• IUPAC Name: 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
• SMILES: COCCCO.O=C(NCCCN(CCCN(CCCO)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F.O=C(NCCCN(CCCO)C(=O)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C15H20F9N3O4.C10H14F6N2O3.C4H10O2/c16-13(17,18)10(29)25-4-1-5-26(11(30)14(19,20)21)6-2-7-27(8-3-9-28)12(31)15(22,23)24;11-9(12,13)7(20)17-3-1-4-18(5-2-6-19)8(21)10(14,15)16;1-6-4-2-3-5/h28H,1-9H2,(H,25,29);19H,1-6H2,(H,17,20);5H,2-4H2,1H3
• InChIKey: INOBXFGAVKCRLR-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 189.05 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 9
• Rotatable Bonds: 21
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	891.67
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?

The IUPAC name of 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide (CID 91440756) is 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide.

What is the SMILES notation for 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?

The canonical SMILES for 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is COCCCO.O=C(NCCCN(CCCN(CCCO)C(=O)C(F)(F)F)C(=O)C(F)(F)F)C(F)(F)F.O=C(NCCCN(CCCO)C(=O)C(F)(F)F)C(F)(F)F.

What is the InChIKey of 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?

The InChIKey is INOBXFGAVKCRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F9N3O4.C10H14F6N2O3.C4H10O2/c16-13(17,18)10(29)25-4-1-5-26(11(30)14(19,20)21)6-2-7-27(8-3-9-28)12(31)15(22,23)24;11-9(12,13)7(20)17-3-1-4-18(5-2-6-19)8(21)10(14,15)16;1-6-4-2-3-5/h28H,1-9H2,(H,25,29);19H,1-6H2,(H,17,20);5H,2-4H2,1H3.

What are the key properties of 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide?

3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide has a molecular weight of 891.67 g/mol, XLogP of 2.45, 21 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methoxypropan-1-ol;2,2,2-trifluoro-N-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide;2,2,2-trifluoro-N-[3-[3-[3-hydroxypropyl-(2,2,2-trifluoroacetyl)amino]propyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide is sourced from PubChem (CID 91440756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).