2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone

C18H24N2O3 — CID 53140198

IUPAC2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone
SMILESCCOCC(=O)N1CCc2cn(CCOC)c3cccc(c23)C1
InChIInChI=1S/C18H24N2O3/c1-3-23-13-17(21)20-8-7-15-11-19(9-10-22-2)16-6-4-5-14(12-20)18(15)16/h4-6,11H,3,7-10,12-13H2,1-2H3
InChIKeyFFAMGPSZUIQBJV-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.21
Rot. Bonds6

About 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone

2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone (PubChem CID 53140198) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone.

Molecular Properties

Compound Name2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone
PubChem CID53140198
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone
SMILESCCOCC(=O)N1CCc2cn(CCOC)c3cccc(c23)C1
InChIInChI=1S/C18H24N2O3/c1-3-23-13-17(21)20-8-7-15-11-19(9-10-22-2)16-6-4-5-14(12-20)18(15)16/h4-6,11H,3,7-10,12-13H2,1-2H3
InChIKeyFFAMGPSZUIQBJV-UHFFFAOYSA-N
XLogP2.21
TPSA43.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone?
The IUPAC name of 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone (CID 53140198) is 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone.
What is the SMILES notation for 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone?
The canonical SMILES for 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone is CCOCC(=O)N1CCc2cn(CCOC)c3cccc(c23)C1.
What is the InChIKey of 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone?
The InChIKey is FFAMGPSZUIQBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-23-13-17(21)20-8-7-15-11-19(9-10-22-2)16-6-4-5-14(12-20)18(15)16/h4-6,11H,3,7-10,12-13H2,1-2H3.
What are the key properties of 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone?
2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone has a molecular weight of 316.40 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-1-[3-(2-methoxyethyl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-10-yl]ethanone is sourced from PubChem (CID 53140198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).