1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone

C18H30N2O9 — CID 581116

IUPAC1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone
SMILESO=C1CCC(=O)OCCOCCOC(=O)CCC(=O)NCCOCCOCCN1
InChIInChI=1S/C18H30N2O9/c21-15-1-3-17(23)28-13-11-27-12-14-29-18(24)4-2-16(22)20-6-8-26-10-9-25-7-5-19-15/h1-14H2,(H,19,21)(H,20,22)
InChIKeyFGHSMTQTMROYQK-UHFFFAOYSA-N
MW418.44 g/mol
LogP-1.07
Rot. Bonds

About 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone

1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone (PubChem CID 581116) has the molecular formula C18H30N2O9 and a molecular weight of 418.44 g/mol. Its IUPAC name is 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone.

Molecular Properties

Compound Name1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone
PubChem CID581116
Molecular FormulaC18H30N2O9
Molecular Weight418.44 g/mol
Exact Mass418.20
IUPAC Name1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone
SMILESO=C1CCC(=O)OCCOCCOC(=O)CCC(=O)NCCOCCOCCN1
InChIInChI=1S/C18H30N2O9/c21-15-1-3-17(23)28-13-11-27-12-14-29-18(24)4-2-16(22)20-6-8-26-10-9-25-7-5-19-15/h1-14H2,(H,19,21)(H,20,22)
InChIKeyFGHSMTQTMROYQK-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

Analyze 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone?
The IUPAC name of 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone (CID 581116) is 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone.
What is the SMILES notation for 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone?
The canonical SMILES for 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone is O=C1CCC(=O)OCCOCCOC(=O)CCC(=O)NCCOCCOCCN1.
What is the InChIKey of 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone?
The InChIKey is FGHSMTQTMROYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O9/c21-15-1-3-17(23)28-13-11-27-12-14-29-18(24)4-2-16(22)20-6-8-26-10-9-25-7-5-19-15/h1-14H2,(H,19,21)(H,20,22).
What are the key properties of 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone?
1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-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 1,4,7,15,18-pentaoxa-12,21-diazacyclopentacosane-8,11,22,25-tetrone is sourced from PubChem (CID 581116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).