24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione

C21H30N2O5 — CID 10340351

IUPAC24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione
SMILESCOc1c2cccc1CCC(=O)N1CCOCCN(CCOCC1)C(=O)CC2
InChIInChI=1S/C21H30N2O5/c1-26-21-17-3-2-4-18(21)6-8-20(25)23-11-15-27-13-9-22(19(24)7-5-17)10-14-28-16-12-23/h2-4H,5-16H2,1H3
InChIKeyXSEKOANGIIKAIA-UHFFFAOYSA-N
MW390.48 g/mol
LogP1.28
Rot. Bonds1

About 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione

24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione (PubChem CID 10340351) has the molecular formula C21H30N2O5 and a molecular weight of 390.48 g/mol. Its IUPAC name is 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione.

Molecular Properties

Compound Name24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione
PubChem CID10340351
Molecular FormulaC21H30N2O5
Molecular Weight390.48 g/mol
Exact Mass390.22
IUPAC Name24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione
SMILESCOc1c2cccc1CCC(=O)N1CCOCCN(CCOCC1)C(=O)CC2
InChIInChI=1S/C21H30N2O5/c1-26-21-17-3-2-4-18(21)6-8-20(25)23-11-15-27-13-9-22(19(24)7-5-17)10-14-28-16-12-23/h2-4H,5-16H2,1H3
InChIKeyXSEKOANGIIKAIA-UHFFFAOYSA-N
XLogP1.28
TPSA68.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione?
The IUPAC name of 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione (CID 10340351) is 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione.
What is the SMILES notation for 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione?
The canonical SMILES for 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione is COc1c2cccc1CCC(=O)N1CCOCCN(CCOCC1)C(=O)CC2.
What is the InChIKey of 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione?
The InChIKey is XSEKOANGIIKAIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O5/c1-26-21-17-3-2-4-18(21)6-8-20(25)23-11-15-27-13-9-22(19(24)7-5-17)10-14-28-16-12-23/h2-4H,5-16H2,1H3.
What are the key properties of 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione?
24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione has a molecular weight of 390.48 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 24-methoxy-16,21-dioxa-1,13-diazatricyclo[11.5.5.15,9]tetracosa-5(24),6,8-triene-2,12-dione is sourced from PubChem (CID 10340351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).