10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

C19H20N2O3 — CID 4622786

IUPAC10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCOc1cccc2c1OC1(C)CC2NC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-19-11-15(14-9-6-10-16(23-2)17(14)24-19)20-18(22)21(19)12-13-7-4-3-5-8-13/h3-10,15H,11-12H2,1-2H3,(H,20,22)
InChIKeyGZJZKBOYJCADNT-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.46
Rot. Bonds3

About 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one

10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (PubChem CID 4622786) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.

Molecular Properties

Compound Name10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
PubChem CID4622786
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one
SMILESCOc1cccc2c1OC1(C)CC2NC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20N2O3/c1-19-11-15(14-9-6-10-16(23-2)17(14)24-19)20-18(22)21(19)12-13-7-4-3-5-8-13/h3-10,15H,11-12H2,1-2H3,(H,20,22)
InChIKeyGZJZKBOYJCADNT-UHFFFAOYSA-N
XLogP3.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The IUPAC name of 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one (CID 4622786) is 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one.
What is the SMILES notation for 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The canonical SMILES for 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is COc1cccc2c1OC1(C)CC2NC(=O)N1Cc1ccccc1.
What is the InChIKey of 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
The InChIKey is GZJZKBOYJCADNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-19-11-15(14-9-6-10-16(23-2)17(14)24-19)20-18(22)21(19)12-13-7-4-3-5-8-13/h3-10,15H,11-12H2,1-2H3,(H,20,22).
What are the key properties of 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one?
10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one has a molecular weight of 324.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-6-methoxy-9-methyl-8-oxa-10,12-diazatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-11-one is sourced from PubChem (CID 4622786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).