(12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane

C20H38N2O2 — CID 141070277

IUPAC(12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane
SMILESC1CCCN2CCC[C@@H]2COCCCCOC[C@H]2CCCN2CC1
InChIInChI=1S/C20H38N2O2/c1-2-4-12-22-14-8-10-20(22)18-24-16-6-5-15-23-17-19-9-7-13-21(19)11-3-1/h19-20H,1-18H2/t19-,20-/m1/s1
InChIKeyOJELUMXEWYDFFD-WOJBJXKFSA-N
MW338.54 g/mol
LogP3.30
Rot. Bonds

About (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane

(12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane (PubChem CID 141070277) has the molecular formula C20H38N2O2 and a molecular weight of 338.54 g/mol. Its IUPAC name is (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane.

Molecular Properties

Compound Name(12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane
PubChem CID141070277
Molecular FormulaC20H38N2O2
Molecular Weight338.54 g/mol
Exact Mass338.29
IUPAC Name(12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane
SMILESC1CCCN2CCC[C@@H]2COCCCCOC[C@H]2CCCN2CC1
InChIInChI=1S/C20H38N2O2/c1-2-4-12-22-14-8-10-20(22)18-24-16-6-5-15-23-17-19-9-7-13-21(19)11-3-1/h19-20H,1-18H2/t19-,20-/m1/s1
InChIKeyOJELUMXEWYDFFD-WOJBJXKFSA-N
XLogP3.30
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane?
The IUPAC name of (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane (CID 141070277) is (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane.
What is the SMILES notation for (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane?
The canonical SMILES for (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane is C1CCCN2CCC[C@@H]2COCCCCOC[C@H]2CCCN2CC1.
What is the InChIKey of (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane?
The InChIKey is OJELUMXEWYDFFD-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H38N2O2/c1-2-4-12-22-14-8-10-20(22)18-24-16-6-5-15-23-17-19-9-7-13-21(19)11-3-1/h19-20H,1-18H2/t19-,20-/m1/s1.
What are the key properties of (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane?
(12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane has a molecular weight of 338.54 g/mol, XLogP of 3.30, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12R,21R)-14,19-dioxa-1,8-diazatricyclo[19.3.0.08,12]tetracosane is sourced from PubChem (CID 141070277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).