6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene

C17H20N2O3 — CID 13326140

IUPAC6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene
SMILESCOc1cccc2c1OCC1C2c2c(n[nH]c2C)OC1(C)C
InChIInChI=1S/C17H20N2O3/c1-9-13-14-10-6-5-7-12(20-4)15(10)21-8-11(14)17(2,3)22-16(13)19-18-9/h5-7,11,14H,8H2,1-4H3,(H,18,19)
InChIKeyCAIMJSSUDFIELE-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.04
Rot. Bonds1

About 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene

6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene (PubChem CID 13326140) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene.

Molecular Properties

Compound Name6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene
PubChem CID13326140
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene
SMILESCOc1cccc2c1OCC1C2c2c(n[nH]c2C)OC1(C)C
InChIInChI=1S/C17H20N2O3/c1-9-13-14-10-6-5-7-12(20-4)15(10)21-8-11(14)17(2,3)22-16(13)19-18-9/h5-7,11,14H,8H2,1-4H3,(H,18,19)
InChIKeyCAIMJSSUDFIELE-UHFFFAOYSA-N
XLogP3.04
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene?
The IUPAC name of 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene (CID 13326140) is 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene.
What is the SMILES notation for 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene?
The canonical SMILES for 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene is COc1cccc2c1OCC1C2c2c(n[nH]c2C)OC1(C)C.
What is the InChIKey of 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene?
The InChIKey is CAIMJSSUDFIELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-9-13-14-10-6-5-7-12(20-4)15(10)21-8-11(14)17(2,3)22-16(13)19-18-9/h5-7,11,14H,8H2,1-4H3,(H,18,19).
What are the key properties of 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene?
6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene has a molecular weight of 300.36 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-11,11,16-trimethyl-8,12-dioxa-14,15-diazatetracyclo[8.7.0.02,7.013,17]heptadeca-2(7),3,5,13,16-pentaene is sourced from PubChem (CID 13326140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).