1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone

C16H26N2O8 — CID 581089

IUPAC1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone
SMILESO=C1CCC(=O)OCCOCCOC(=O)CCC(=O)NCCOCCN1
InChIInChI=1S/C16H26N2O8/c19-13-1-3-15(21)25-11-9-24-10-12-26-16(22)4-2-14(20)18-6-8-23-7-5-17-13/h1-12H2,(H,17,19)(H,18,20)
InChIKeyRZLBZDBGIGWXGD-UHFFFAOYSA-N
MW374.39 g/mol
LogP-1.09
Rot. Bonds

About 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone

1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone (PubChem CID 581089) has the molecular formula C16H26N2O8 and a molecular weight of 374.39 g/mol. Its IUPAC name is 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone.

Molecular Properties

Compound Name1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone
PubChem CID581089
Molecular FormulaC16H26N2O8
Molecular Weight374.39 g/mol
Exact Mass374.17
IUPAC Name1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone
SMILESO=C1CCC(=O)OCCOCCOC(=O)CCC(=O)NCCOCCN1
InChIInChI=1S/C16H26N2O8/c19-13-1-3-15(21)25-11-9-24-10-12-26-16(22)4-2-14(20)18-6-8-23-7-5-17-13/h1-12H2,(H,17,19)(H,18,20)
InChIKeyRZLBZDBGIGWXGD-UHFFFAOYSA-N
XLogP-1.09
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 5-1.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone?
The IUPAC name of 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone (CID 581089) is 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone.
What is the SMILES notation for 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone?
The canonical SMILES for 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone is O=C1CCC(=O)OCCOCCOC(=O)CCC(=O)NCCOCCN1.
What is the InChIKey of 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone?
The InChIKey is RZLBZDBGIGWXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O8/c19-13-1-3-15(21)25-11-9-24-10-12-26-16(22)4-2-14(20)18-6-8-23-7-5-17-13/h1-12H2,(H,17,19)(H,18,20).
What are the key properties of 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone?
1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone has a molecular weight of 374.39 g/mol, XLogP of -1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,15-tetraoxa-12,18-diazacyclodocosane-8,11,19,22-tetrone is sourced from PubChem (CID 581089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).