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

C23H29NO5 — CID 74415247

IUPAC9-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOc1ccccc1OC1=COC2C(CCC3OCN(C4CCCC4)CC32)C1=O
InChIInChI=1S/C23H29NO5/c1-26-19-8-4-5-9-20(19)29-21-13-27-23-16(22(21)25)10-11-18-17(23)12-24(14-28-18)15-6-2-3-7-15/h4-5,8-9,13,15-18,23H,2-3,6-7,10-12,14H2,1H3
InChIKeyYFXSBIJYNJMTRU-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.51
Rot. Bonds4

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

9-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (PubChem CID 74415247) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is 9-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one.

Molecular Properties

Compound Name9-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
PubChem CID74415247
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name9-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one
SMILESCOc1ccccc1OC1=COC2C(CCC3OCN(C4CCCC4)CC32)C1=O
InChIInChI=1S/C23H29NO5/c1-26-19-8-4-5-9-20(19)29-21-13-27-23-16(22(21)25)10-11-18-17(23)12-24(14-28-18)15-6-2-3-7-15/h4-5,8-9,13,15-18,23H,2-3,6-7,10-12,14H2,1H3
InChIKeyYFXSBIJYNJMTRU-UHFFFAOYSA-N
XLogP3.51
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentyl-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-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one (CID 74415247) is 9-cyclopentyl-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-cyclopentyl-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-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one is COc1ccccc1OC1=COC2C(CCC3OCN(C4CCCC4)CC32)C1=O.
What is the InChIKey of 9-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
The InChIKey is YFXSBIJYNJMTRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-26-19-8-4-5-9-20(19)29-21-13-27-23-16(22(21)25)10-11-18-17(23)12-24(14-28-18)15-6-2-3-7-15/h4-5,8-9,13,15-18,23H,2-3,6-7,10-12,14H2,1H3.
What are the key properties of 9-cyclopentyl-3-(2-methoxyphenoxy)-4a,5,6,6a,8,10,10a,10b-octahydrochromeno[8,7-e][1,3]oxazin-4-one?
9-cyclopentyl-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 399.49 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentyl-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 74415247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).