2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene

C16H27NO5 — CID 58722121

IUPAC2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene
SMILESC1=CC2NCCOCCOCCOCCOCCOC2C=C1
InChIInChI=1S/C16H27NO5/c1-2-4-16-15(3-1)17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22-16/h1-4,15-17H,5-14H2
InChIKeyWUBUCCANNFSCFB-UHFFFAOYSA-N
MW313.39 g/mol
LogP0.54
Rot. Bonds

About 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene

2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene (PubChem CID 58722121) has the molecular formula C16H27NO5 and a molecular weight of 313.39 g/mol. Its IUPAC name is 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene.

Molecular Properties

Compound Name2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene
PubChem CID58722121
Molecular FormulaC16H27NO5
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene
SMILESC1=CC2NCCOCCOCCOCCOCCOC2C=C1
InChIInChI=1S/C16H27NO5/c1-2-4-16-15(3-1)17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22-16/h1-4,15-17H,5-14H2
InChIKeyWUBUCCANNFSCFB-UHFFFAOYSA-N
XLogP0.54
TPSA58.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene 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 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene?
The IUPAC name of 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene (CID 58722121) is 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene.
What is the SMILES notation for 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene?
The canonical SMILES for 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene is C1=CC2NCCOCCOCCOCCOCCOC2C=C1.
What is the InChIKey of 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene?
The InChIKey is WUBUCCANNFSCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO5/c1-2-4-16-15(3-1)17-5-6-18-7-8-19-9-10-20-11-12-21-13-14-22-16/h1-4,15-17H,5-14H2.
What are the key properties of 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene?
2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene has a molecular weight of 313.39 g/mol, XLogP of 0.54, 0 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,8,11,14-pentaoxa-17-azabicyclo[16.4.0]docosa-19,21-diene is sourced from PubChem (CID 58722121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).