1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate

C32H64N2O6 — CID 155669506

IUPAC1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate
SMILESCOCC(O)CNCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1OCCO1
InChIInChI=1S/C32H64N2O6/c1-37-30-31(35)29-33-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-32(36)40-34-38-27-28-39-34/h31,33,35H,2-30H2,1H3
InChIKeyJUUDYZMGSKUHIN-UHFFFAOYSA-N
MW572.87 g/mol
LogP7.58
Rot. Bonds31

About 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate

1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate (PubChem CID 155669506) has the molecular formula C32H64N2O6 and a molecular weight of 572.87 g/mol. Its IUPAC name is 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate.

Molecular Properties

Compound Name1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate
PubChem CID155669506
Molecular FormulaC32H64N2O6
Molecular Weight572.87 g/mol
Exact Mass572.48
IUPAC Name1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate
SMILESCOCC(O)CNCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1OCCO1
InChIInChI=1S/C32H64N2O6/c1-37-30-31(35)29-33-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-32(36)40-34-38-27-28-39-34/h31,33,35H,2-30H2,1H3
InChIKeyJUUDYZMGSKUHIN-UHFFFAOYSA-N
XLogP7.58
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds31
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.87
LogP ≤ 57.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate?
The IUPAC name of 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate (CID 155669506) is 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate.
What is the SMILES notation for 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate?
The canonical SMILES for 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate is COCC(O)CNCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)ON1OCCO1.
What is the InChIKey of 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate?
The InChIKey is JUUDYZMGSKUHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H64N2O6/c1-37-30-31(35)29-33-26-24-22-20-18-16-14-12-10-8-6-4-2-3-5-7-9-11-13-15-17-19-21-23-25-32(36)40-34-38-27-28-39-34/h31,33,35H,2-30H2,1H3.
What are the key properties of 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate?
1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate has a molecular weight of 572.87 g/mol, XLogP of 7.58, 31 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,2-dioxazolidin-2-yl 26-[(2-hydroxy-3-methoxypropyl)amino]hexacosanoate is sourced from PubChem (CID 155669506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).