1-oxa-4,16-diazacyclohenicosane

C18H38N2O — CID 66747485

IUPAC1-oxa-4,16-diazacyclohenicosane
SMILESC1CCCCCNCCCCCOCCNCCCCC1
InChIInChI=1S/C18H38N2O/c1-2-4-6-9-13-19-14-11-8-12-17-21-18-16-20-15-10-7-5-3-1/h19-20H,1-18H2
InChIKeySUTBORXWLPQCRN-UHFFFAOYSA-N
MW298.52 g/mol
LogP3.88
Rot. Bonds

About 1-oxa-4,16-diazacyclohenicosane

1-oxa-4,16-diazacyclohenicosane (PubChem CID 66747485) has the molecular formula C18H38N2O and a molecular weight of 298.52 g/mol. Its IUPAC name is 1-oxa-4,16-diazacyclohenicosane.

Molecular Properties

Compound Name1-oxa-4,16-diazacyclohenicosane
PubChem CID66747485
Molecular FormulaC18H38N2O
Molecular Weight298.52 g/mol
Exact Mass298.30
IUPAC Name1-oxa-4,16-diazacyclohenicosane
SMILESC1CCCCCNCCCCCOCCNCCCCC1
InChIInChI=1S/C18H38N2O/c1-2-4-6-9-13-19-14-11-8-12-17-21-18-16-20-15-10-7-5-3-1/h19-20H,1-18H2
InChIKeySUTBORXWLPQCRN-UHFFFAOYSA-N
XLogP3.88
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.52
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-oxa-4,16-diazacyclohenicosane 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-oxa-4,16-diazacyclohenicosane?
The IUPAC name of 1-oxa-4,16-diazacyclohenicosane (CID 66747485) is 1-oxa-4,16-diazacyclohenicosane.
What is the SMILES notation for 1-oxa-4,16-diazacyclohenicosane?
The canonical SMILES for 1-oxa-4,16-diazacyclohenicosane is C1CCCCCNCCCCCOCCNCCCCC1.
What is the InChIKey of 1-oxa-4,16-diazacyclohenicosane?
The InChIKey is SUTBORXWLPQCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N2O/c1-2-4-6-9-13-19-14-11-8-12-17-21-18-16-20-15-10-7-5-3-1/h19-20H,1-18H2.
What are the key properties of 1-oxa-4,16-diazacyclohenicosane?
1-oxa-4,16-diazacyclohenicosane has a molecular weight of 298.52 g/mol, XLogP of 3.88, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxa-4,16-diazacyclohenicosane is sourced from PubChem (CID 66747485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).