1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione

C24H40N2O4 — CID 166216788

IUPAC1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)N1C2CCCC1COC2)N1C2CCCC1COC2
InChIInChI=1S/C24H40N2O4/c27-23(25-19-9-7-10-20(25)16-29-15-19)13-5-3-1-2-4-6-14-24(28)26-21-11-8-12-22(26)18-30-17-21/h19-22H,1-18H2
InChIKeyKRPAZSSPZWAHFL-UHFFFAOYSA-N
MW420.59 g/mol
LogP3.67
Rot. Bonds9

About 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione

1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione (PubChem CID 166216788) has the molecular formula C24H40N2O4 and a molecular weight of 420.59 g/mol. Its IUPAC name is 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione.

Molecular Properties

Compound Name1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione
PubChem CID166216788
Molecular FormulaC24H40N2O4
Molecular Weight420.59 g/mol
Exact Mass420.30
IUPAC Name1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione
SMILESO=C(CCCCCCCCC(=O)N1C2CCCC1COC2)N1C2CCCC1COC2
InChIInChI=1S/C24H40N2O4/c27-23(25-19-9-7-10-20(25)16-29-15-19)13-5-3-1-2-4-6-14-24(28)26-21-11-8-12-22(26)18-30-17-21/h19-22H,1-18H2
InChIKeyKRPAZSSPZWAHFL-UHFFFAOYSA-N
XLogP3.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione?
The IUPAC name of 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione (CID 166216788) is 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione.
What is the SMILES notation for 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione?
The canonical SMILES for 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione is O=C(CCCCCCCCC(=O)N1C2CCCC1COC2)N1C2CCCC1COC2.
What is the InChIKey of 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione?
The InChIKey is KRPAZSSPZWAHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H40N2O4/c27-23(25-19-9-7-10-20(25)16-29-15-19)13-5-3-1-2-4-6-14-24(28)26-21-11-8-12-22(26)18-30-17-21/h19-22H,1-18H2.
What are the key properties of 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione?
1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione has a molecular weight of 420.59 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-bis(3-oxa-9-azabicyclo[3.3.1]nonan-9-yl)decane-1,10-dione is sourced from PubChem (CID 166216788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).