8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane

C22H35NO — CID 147264141

IUPAC8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane
SMILESC1CCC2C(C1)OC1CCCC3C4CCCC5CCCC(C54)N2C13
InChIInChI=1S/C22H35NO/c1-2-12-19-17(10-1)23-18-11-4-7-14-6-3-8-15(21(14)18)16-9-5-13-20(24-19)22(16)23/h14-22H,1-13H2
InChIKeyROBITQKCGMDKPQ-UHFFFAOYSA-N
MW329.53 g/mol
LogP4.77
Rot. Bonds

About 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane

8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane (PubChem CID 147264141) has the molecular formula C22H35NO and a molecular weight of 329.53 g/mol. Its IUPAC name is 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane.

Molecular Properties

Compound Name8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane
PubChem CID147264141
Molecular FormulaC22H35NO
Molecular Weight329.53 g/mol
Exact Mass329.27
IUPAC Name8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane
SMILESC1CCC2C(C1)OC1CCCC3C4CCCC5CCCC(C54)N2C13
InChIInChI=1S/C22H35NO/c1-2-12-19-17(10-1)23-18-11-4-7-14-6-3-8-15(21(14)18)16-9-5-13-20(24-19)22(16)23/h14-22H,1-13H2
InChIKeyROBITQKCGMDKPQ-UHFFFAOYSA-N
XLogP4.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane?
The IUPAC name of 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane (CID 147264141) is 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane.
What is the SMILES notation for 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane?
The canonical SMILES for 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane is C1CCC2C(C1)OC1CCCC3C4CCCC5CCCC(C54)N2C13.
What is the InChIKey of 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane?
The InChIKey is ROBITQKCGMDKPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO/c1-2-12-19-17(10-1)23-18-11-4-7-14-6-3-8-15(21(14)18)16-9-5-13-20(24-19)22(16)23/h14-22H,1-13H2.
What are the key properties of 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane?
8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane has a molecular weight of 329.53 g/mol, XLogP of 4.77, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-1-azahexacyclo[11.9.1.114,18.02,7.09,23.022,24]tetracosane is sourced from PubChem (CID 147264141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).