2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene

C20H26N2O2 — CID 10592252

IUPAC2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene
SMILESc1ccc2c(c1)CNCCCOc1ccccc1CNCCCO2
InChIInChI=1S/C20H26N2O2/c1-3-9-19-17(7-1)15-21-11-5-14-24-20-10-4-2-8-18(20)16-22-12-6-13-23-19/h1-4,7-10,21-22H,5-6,11-16H2
InChIKeyANBLZWCZKPCTNM-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.12
Rot. Bonds

About 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene

2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene (PubChem CID 10592252) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene.

Molecular Properties

Compound Name2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene
PubChem CID10592252
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene
SMILESc1ccc2c(c1)CNCCCOc1ccccc1CNCCCO2
InChIInChI=1S/C20H26N2O2/c1-3-9-19-17(7-1)15-21-11-5-14-24-20-10-4-2-8-18(20)16-22-12-6-13-23-19/h1-4,7-10,21-22H,5-6,11-16H2
InChIKeyANBLZWCZKPCTNM-UHFFFAOYSA-N
XLogP3.12
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene?
The IUPAC name of 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene (CID 10592252) is 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene.
What is the SMILES notation for 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene?
The canonical SMILES for 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene is c1ccc2c(c1)CNCCCOc1ccccc1CNCCCO2.
What is the InChIKey of 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene?
The InChIKey is ANBLZWCZKPCTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-3-9-19-17(7-1)15-21-11-5-14-24-20-10-4-2-8-18(20)16-22-12-6-13-23-19/h1-4,7-10,21-22H,5-6,11-16H2.
What are the key properties of 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene?
2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene has a molecular weight of 326.44 g/mol, XLogP of 3.12, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,14-dioxa-6,18-diazatricyclo[18.4.0.08,13]tetracosa-1(24),8,10,12,20,22-hexaene is sourced from PubChem (CID 10592252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).