1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone

C18H30N2O9 — CID 581117

IUPAC1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone
SMILESO=C1CCC(=O)OCCOCCOCCOC(=O)CCC(=O)NCCOCCN1
InChIInChI=1S/C18H30N2O9/c21-15-1-3-17(23)28-13-11-26-9-10-27-12-14-29-18(24)4-2-16(22)20-6-8-25-7-5-19-15/h1-14H2,(H,19,21)(H,20,22)
InChIKeyAZGCZWRKSLFZLJ-UHFFFAOYSA-N
MW418.44 g/mol
LogP-1.07
Rot. Bonds

About 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone

1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone (PubChem CID 581117) has the molecular formula C18H30N2O9 and a molecular weight of 418.44 g/mol. Its IUPAC name is 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone.

Molecular Properties

Compound Name1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone
PubChem CID581117
Molecular FormulaC18H30N2O9
Molecular Weight418.44 g/mol
Exact Mass418.20
IUPAC Name1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone
SMILESO=C1CCC(=O)OCCOCCOCCOC(=O)CCC(=O)NCCOCCN1
InChIInChI=1S/C18H30N2O9/c21-15-1-3-17(23)28-13-11-26-9-10-27-12-14-29-18(24)4-2-16(22)20-6-8-25-7-5-19-15/h1-14H2,(H,19,21)(H,20,22)
InChIKeyAZGCZWRKSLFZLJ-UHFFFAOYSA-N
XLogP-1.07
TPSA138.49 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.44
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone?
The IUPAC name of 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone (CID 581117) is 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone.
What is the SMILES notation for 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone?
The canonical SMILES for 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone is O=C1CCC(=O)OCCOCCOCCOC(=O)CCC(=O)NCCOCCN1.
What is the InChIKey of 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone?
The InChIKey is AZGCZWRKSLFZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O9/c21-15-1-3-17(23)28-13-11-26-9-10-27-12-14-29-18(24)4-2-16(22)20-6-8-25-7-5-19-15/h1-14H2,(H,19,21)(H,20,22).
What are the key properties of 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone?
1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone has a molecular weight of 418.44 g/mol, XLogP of -1.07, 0 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,18-pentaoxa-15,21-diazacyclopentacosane-11,14,22,25-tetrone is sourced from PubChem (CID 581117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).