[2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate

C16H33NO5 — CID 58654743

IUPAC[2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate
SMILESCCCCC(C)(C)C(=O)OCC(O)CNCCOCCOC
InChIInChI=1S/C16H33NO5/c1-5-6-7-16(2,3)15(19)22-13-14(18)12-17-8-9-21-11-10-20-4/h14,17-18H,5-13H2,1-4H3
InChIKeyUYIYWYBSWUGIHQ-UHFFFAOYSA-N
MW319.44 g/mol
LogP1.36
Rot. Bonds14

About [2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate

[2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate (PubChem CID 58654743) has the molecular formula C16H33NO5 and a molecular weight of 319.44 g/mol. Its IUPAC name is [2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate.

Molecular Properties

Compound Name[2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate
PubChem CID58654743
Molecular FormulaC16H33NO5
Molecular Weight319.44 g/mol
Exact Mass319.24
IUPAC Name[2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate
SMILESCCCCC(C)(C)C(=O)OCC(O)CNCCOCCOC
InChIInChI=1S/C16H33NO5/c1-5-6-7-16(2,3)15(19)22-13-14(18)12-17-8-9-21-11-10-20-4/h14,17-18H,5-13H2,1-4H3
InChIKeyUYIYWYBSWUGIHQ-UHFFFAOYSA-N
XLogP1.36
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate?
The IUPAC name of [2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate (CID 58654743) is [2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate.
What is the SMILES notation for [2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate?
The canonical SMILES for [2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate is CCCCC(C)(C)C(=O)OCC(O)CNCCOCCOC.
What is the InChIKey of [2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate?
The InChIKey is UYIYWYBSWUGIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO5/c1-5-6-7-16(2,3)15(19)22-13-14(18)12-17-8-9-21-11-10-20-4/h14,17-18H,5-13H2,1-4H3.
What are the key properties of [2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate?
[2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate has a molecular weight of 319.44 g/mol, XLogP of 1.36, 14 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-(2-methoxyethoxy)ethylamino]propyl] 2,2-dimethylhexanoate is sourced from PubChem (CID 58654743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).