9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

C21H27NO6 — CID 74415245

IUPAC9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOCCN1COC2CCC3C(=O)C(Oc4ccccc4OC)=COC3C2C1
InChIInChI=1S/C21H27NO6/c1-24-10-9-22-11-15-16(27-13-22)8-7-14-20(23)19(12-26-21(14)15)28-18-6-4-3-5-17(18)25-2/h3-6,12,14-16,21H,7-11,13H2,1-2H3
InChIKeyQDQOQWPEXWFUSO-UHFFFAOYSA-N
MW389.45 g/mol
LogP2.21
Rot. Bonds6

About 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one

9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (PubChem CID 74415245) has the molecular formula C21H27NO6 and a molecular weight of 389.45 g/mol. Its IUPAC name is 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
PubChem CID74415245
Molecular FormulaC21H27NO6
Molecular Weight389.45 g/mol
Exact Mass389.18
IUPAC Name9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOCCN1COC2CCC3C(=O)C(Oc4ccccc4OC)=COC3C2C1
InChIInChI=1S/C21H27NO6/c1-24-10-9-22-11-15-16(27-13-22)8-7-14-20(23)19(12-26-21(14)15)28-18-6-4-3-5-17(18)25-2/h3-6,12,14-16,21H,7-11,13H2,1-2H3
InChIKeyQDQOQWPEXWFUSO-UHFFFAOYSA-N
XLogP2.21
TPSA66.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The IUPAC name of 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (CID 74415245) is 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.
What is the SMILES notation for 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The canonical SMILES for 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is COCCN1COC2CCC3C(=O)C(Oc4ccccc4OC)=COC3C2C1.
What is the InChIKey of 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The InChIKey is QDQOQWPEXWFUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO6/c1-24-10-9-22-11-15-16(27-13-22)8-7-14-20(23)19(12-26-21(14)15)28-18-6-4-3-5-17(18)25-2/h3-6,12,14-16,21H,7-11,13H2,1-2H3.
What are the key properties of 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one has a molecular weight of 389.45 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-methoxyethyl)-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is sourced from PubChem (CID 74415245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).