1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol

C18H39NO7 — CID 167153511

About 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol

1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol (PubChem CID 167153511) has the molecular formula C18H39NO7 and a molecular weight of 381.51 g/mol. Its IUPAC name is 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol.

Molecular Properties

• Compound Name: 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol
• PubChem CID: 167153511
• Molecular Formula: C18H39NO7
• Molecular Weight: 381.51 g/mol
• Exact Mass: 381.27
• IUPAC Name: 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol
• SMILES: CCC(COCCOCC(O)CNC(C)COC(C)COCCO)OC
• InChI: InChI=1S/C18H39NO7/c1-5-18(22-4)14-25-9-8-24-13-17(21)10-19-15(2)11-26-16(3)12-23-7-6-20/h15-21H,5-14H2,1-4H3
• InChIKey: FWBZDNCGYIDPFR-UHFFFAOYSA-N
• XLogP: 0.20
• TPSA: 98.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 19
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.51
LogP ≤ 5	0.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol?

The IUPAC name of 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol (CID 167153511) is 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol.

What is the SMILES notation for 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol?

The canonical SMILES for 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol is CCC(COCCOCC(O)CNC(C)COC(C)COCCO)OC.

What is the InChIKey of 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol?

The InChIKey is FWBZDNCGYIDPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H39NO7/c1-5-18(22-4)14-25-9-8-24-13-17(21)10-19-15(2)11-26-16(3)12-23-7-6-20/h15-21H,5-14H2,1-4H3.

What are the key properties of 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol?

1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol has a molecular weight of 381.51 g/mol, XLogP of 0.20, 19 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[1-[1-(2-hydroxyethoxy)propan-2-yloxy]propan-2-ylamino]-3-[2-(2-methoxybutoxy)ethoxy]propan-2-ol is sourced from PubChem (CID 167153511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).