[6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone

C16H27NO4 — CID 134078320

IUPAC[6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone
SMILESCCOCC1CC2OCCN(C(=O)C3CCOCC3)C2C1
InChIInChI=1S/C16H27NO4/c1-2-19-11-12-9-14-15(10-12)21-8-5-17(14)16(18)13-3-6-20-7-4-13/h12-15H,2-11H2,1H3
InChIKeyHDZYYMQLDMJIPY-UHFFFAOYSA-N
MW297.39 g/mol
LogP1.46
Rot. Bonds4

About [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone

[6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone (PubChem CID 134078320) has the molecular formula C16H27NO4 and a molecular weight of 297.39 g/mol. Its IUPAC name is [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone.

Molecular Properties

Compound Name[6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone
PubChem CID134078320
Molecular FormulaC16H27NO4
Molecular Weight297.39 g/mol
Exact Mass297.19
IUPAC Name[6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone
SMILESCCOCC1CC2OCCN(C(=O)C3CCOCC3)C2C1
InChIInChI=1S/C16H27NO4/c1-2-19-11-12-9-14-15(10-12)21-8-5-17(14)16(18)13-3-6-20-7-4-13/h12-15H,2-11H2,1H3
InChIKeyHDZYYMQLDMJIPY-UHFFFAOYSA-N
XLogP1.46
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.39
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone?
The IUPAC name of [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone (CID 134078320) is [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone.
What is the SMILES notation for [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone?
The canonical SMILES for [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone is CCOCC1CC2OCCN(C(=O)C3CCOCC3)C2C1.
What is the InChIKey of [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone?
The InChIKey is HDZYYMQLDMJIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-19-11-12-9-14-15(10-12)21-8-5-17(14)16(18)13-3-6-20-7-4-13/h12-15H,2-11H2,1H3.
What are the key properties of [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone?
[6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone has a molecular weight of 297.39 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(ethoxymethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(oxan-4-yl)methanone is sourced from PubChem (CID 134078320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).