(12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane

C24H46N2O2 — CID 141070286

IUPAC(12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane
SMILESC1CCCCOC[C@H]2CCCN2CCCCCCN2CCC[C@@H]2COCCC1
InChIInChI=1S/C24H46N2O2/c1-2-6-10-20-28-22-24-14-12-18-26(24)16-8-4-3-7-15-25-17-11-13-23(25)21-27-19-9-5-1/h23-24H,1-22H2/t23-,24-/m1/s1
InChIKeyJONLCFBBLOXVSY-DNQXCXABSA-N
MW394.64 g/mol
LogP4.86
Rot. Bonds

About (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane

(12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane (PubChem CID 141070286) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane.

Molecular Properties

Compound Name(12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane
PubChem CID141070286
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name(12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane
SMILESC1CCCCOC[C@H]2CCCN2CCCCCCN2CCC[C@@H]2COCCC1
InChIInChI=1S/C24H46N2O2/c1-2-6-10-20-28-22-24-14-12-18-26(24)16-8-4-3-7-15-25-17-11-13-23(25)21-27-19-9-5-1/h23-24H,1-22H2/t23-,24-/m1/s1
InChIKeyJONLCFBBLOXVSY-DNQXCXABSA-N
XLogP4.86
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.64
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane?
The IUPAC name of (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane (CID 141070286) is (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane.
What is the SMILES notation for (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane?
The canonical SMILES for (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane is C1CCCCOC[C@H]2CCCN2CCCCCCN2CCC[C@@H]2COCCC1.
What is the InChIKey of (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane?
The InChIKey is JONLCFBBLOXVSY-DNQXCXABSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-2-6-10-20-28-22-24-14-12-18-26(24)16-8-4-3-7-15-25-17-11-13-23(25)21-27-19-9-5-1/h23-24H,1-22H2/t23-,24-/m1/s1.
What are the key properties of (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane?
(12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane has a molecular weight of 394.64 g/mol, XLogP of 4.86, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (12R,25R)-14,23-dioxa-1,8-diazatricyclo[23.3.0.08,12]octacosane is sourced from PubChem (CID 141070286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).