1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone

C18H25NO5 — CID 90537392

IUPAC1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone
SMILESCCOc1ccc(OCC(=O)N2CC3(COC(C)(C)OC3)C2)cc1
InChIInChI=1S/C18H25NO5/c1-4-21-14-5-7-15(8-6-14)22-9-16(20)19-10-18(11-19)12-23-17(2,3)24-13-18/h5-8H,4,9-13H2,1-3H3
InChIKeyVZEKCMPJVYESDV-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.08
Rot. Bonds5

About 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone

1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone (PubChem CID 90537392) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone
PubChem CID90537392
Molecular FormulaC18H25NO5
Molecular Weight335.40 g/mol
Exact Mass335.17
IUPAC Name1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone
SMILESCCOc1ccc(OCC(=O)N2CC3(COC(C)(C)OC3)C2)cc1
InChIInChI=1S/C18H25NO5/c1-4-21-14-5-7-15(8-6-14)22-9-16(20)19-10-18(11-19)12-23-17(2,3)24-13-18/h5-8H,4,9-13H2,1-3H3
InChIKeyVZEKCMPJVYESDV-UHFFFAOYSA-N
XLogP2.08
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone with MolForge

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Related Compounds

1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2-(4-methylphenoxy)ethanone
CID 108536873
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 108533445
2-(4-ethoxyphenoxy)-1-(4-methylsulfonylpiperazin-1-yl)ethanone
CID 31688394
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2,2,2-trifluoroethanone
CID 108543721
1-(2,2-dimethylmorpholin-4-yl)-2-(4-ethoxyphenyl)sulfanylethanone
CID 86981373
1-[4-[2-(4-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(4-ethoxyphenyl)ethanone
CID 108547166
2-(4-chlorophenoxy)-1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-methylpropan-1-one
CID 71789575
N-[1-[2-(4-ethoxyphenoxy)acetyl]piperidin-4-yl]ethanesulfonamide
CID 108566444
2-(4-ethoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]ethanone
CID 108536870
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
2-(4-ethoxyphenoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]ethanone
CID 107224272
1-[4-[2-(4-ethoxyphenoxy)acetyl]piperazin-1-yl]-4-phenoxybutan-1-one
CID 108536249

Frequently Asked Questions

What is the IUPAC name of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone?
The IUPAC name of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone (CID 90537392) is 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone.
What is the SMILES notation for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone?
The canonical SMILES for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone is CCOc1ccc(OCC(=O)N2CC3(COC(C)(C)OC3)C2)cc1.
What is the InChIKey of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone?
The InChIKey is VZEKCMPJVYESDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO5/c1-4-21-14-5-7-15(8-6-14)22-9-16(20)19-10-18(11-19)12-23-17(2,3)24-13-18/h5-8H,4,9-13H2,1-3H3.
What are the key properties of 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone?
1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone has a molecular weight of 335.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,7-dimethyl-6,8-dioxa-2-azaspiro[3.5]nonan-2-yl)-2-(4-ethoxyphenoxy)ethanone is sourced from PubChem (CID 90537392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).