8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione

C25H31N3O4 — CID 162973405

IUPAC8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione
SMILESO=C1NCCC2C(c3ccccc3)C(O)C(=O)N2CCCCNC(c2ccccc2)C1O
InChIInChI=1S/C25H31N3O4/c29-22-20(17-9-3-1-4-10-17)19-13-15-27-24(31)23(30)21(18-11-5-2-6-12-18)26-14-7-8-16-28(19)25(22)32/h1-6,9-12,19-23,26,29-30H,7-8,13-16H2,(H,27,31)
InChIKeyDJVJIXPENPIGEU-UHFFFAOYSA-N
MW437.54 g/mol
LogP1.33
Rot. Bonds2

About 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione

8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione (PubChem CID 162973405) has the molecular formula C25H31N3O4 and a molecular weight of 437.54 g/mol. Its IUPAC name is 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione.

Molecular Properties

Compound Name8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione
PubChem CID162973405
Molecular FormulaC25H31N3O4
Molecular Weight437.54 g/mol
Exact Mass437.23
IUPAC Name8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione
SMILESO=C1NCCC2C(c3ccccc3)C(O)C(=O)N2CCCCNC(c2ccccc2)C1O
InChIInChI=1S/C25H31N3O4/c29-22-20(17-9-3-1-4-10-17)19-13-15-27-24(31)23(30)21(18-11-5-2-6-12-18)26-14-7-8-16-28(19)25(22)32/h1-6,9-12,19-23,26,29-30H,7-8,13-16H2,(H,27,31)
InChIKeyDJVJIXPENPIGEU-UHFFFAOYSA-N
XLogP1.33
TPSA101.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 51.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione?
The IUPAC name of 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione (CID 162973405) is 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione.
What is the SMILES notation for 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione?
The canonical SMILES for 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione is O=C1NCCC2C(c3ccccc3)C(O)C(=O)N2CCCCNC(c2ccccc2)C1O.
What is the InChIKey of 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione?
The InChIKey is DJVJIXPENPIGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O4/c29-22-20(17-9-3-1-4-10-17)19-13-15-27-24(31)23(30)21(18-11-5-2-6-12-18)26-14-7-8-16-28(19)25(22)32/h1-6,9-12,19-23,26,29-30H,7-8,13-16H2,(H,27,31).
What are the key properties of 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione?
8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione has a molecular weight of 437.54 g/mol, XLogP of 1.33, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8,15-dihydroxy-7,14-diphenyl-1,6,10-triazabicyclo[11.3.0]hexadecane-9,16-dione is sourced from PubChem (CID 162973405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).