8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one

C19H31N3O2 — CID 10359494

IUPAC8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one
SMILESCOC1(C)CNCCCc2ccccc2CNCC(C)(C)NC1=O
InChIInChI=1S/C19H31N3O2/c1-18(2)13-21-12-16-9-6-5-8-15(16)10-7-11-20-14-19(3,24-4)17(23)22-18/h5-6,8-9,20-21H,7,10-14H2,1-4H3,(H,22,23)
InChIKeyUYVOZSZADBRPMM-UHFFFAOYSA-N
MW333.48 g/mol
LogP1.61
Rot. Bonds1

About 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one

8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one (PubChem CID 10359494) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one.

Molecular Properties

Compound Name8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one
PubChem CID10359494
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one
SMILESCOC1(C)CNCCCc2ccccc2CNCC(C)(C)NC1=O
InChIInChI=1S/C19H31N3O2/c1-18(2)13-21-12-16-9-6-5-8-15(16)10-7-11-20-14-19(3,24-4)17(23)22-18/h5-6,8-9,20-21H,7,10-14H2,1-4H3,(H,22,23)
InChIKeyUYVOZSZADBRPMM-UHFFFAOYSA-N
XLogP1.61
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one?
The IUPAC name of 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one (CID 10359494) is 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one.
What is the SMILES notation for 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one?
The canonical SMILES for 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one is COC1(C)CNCCCc2ccccc2CNCC(C)(C)NC1=O.
What is the InChIKey of 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one?
The InChIKey is UYVOZSZADBRPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-18(2)13-21-12-16-9-6-5-8-15(16)10-7-11-20-14-19(3,24-4)17(23)22-18/h5-6,8-9,20-21H,7,10-14H2,1-4H3,(H,22,23).
What are the key properties of 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one?
8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one has a molecular weight of 333.48 g/mol, XLogP of 1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5,5,8-trimethyl-3,6,10-triazabicyclo[12.4.0]octadeca-1(18),14,16-trien-7-one is sourced from PubChem (CID 10359494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).