2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone

C17H23NO3 — CID 71854849

IUPAC2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)N2CCC3(CCOC3)C2)c1
InChIInChI=1S/C17H23NO3/c1-13-7-14(2)9-15(8-13)21-10-16(19)18-5-3-17(11-18)4-6-20-12-17/h7-9H,3-6,10-12H2,1-2H3
InChIKeyULAPOZNABLRBFT-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.32
Rot. Bonds3

About 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone

2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone (PubChem CID 71854849) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
PubChem CID71854849
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
SMILESCc1cc(C)cc(OCC(=O)N2CCC3(CCOC3)C2)c1
InChIInChI=1S/C17H23NO3/c1-13-7-14(2)9-15(8-13)21-10-16(19)18-5-3-17(11-18)4-6-20-12-17/h7-9H,3-6,10-12H2,1-2H3
InChIKeyULAPOZNABLRBFT-UHFFFAOYSA-N
XLogP2.32
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methyl-4-propan-2-ylphenoxy)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 99697772
4-[4-[2-(2-oxa-7-azaspiro[4.4]nonan-7-yl)-2-oxoethoxy]phenyl]butan-2-one
CID 126779268
2-(1,3-benzodioxol-5-yloxy)-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97120746
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[(5S)-2-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
CID 97129702
1-[2-(3,5-dimethylphenoxy)acetyl]piperidin-4-one
CID 39361344
ethyl 4-[2-(3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate
CID 3334137
2-(3,5-dimethylphenoxy)-1-(4-methylpiperidin-1-yl)ethanone
CID 21173488
4-amino-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)pentan-1-one
CID 120563784
2-(4-methyl-2-sulfanylidene-3H-1,3-thiazol-5-yl)-1-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]ethanone
CID 99699445
2-[4-[2-(3,5-dimethylphenoxy)acetyl]piperazin-1-yl]acetic acid
CID 119934690
2-(3,5-dimethylphenoxy)-1-[4-(1,3-thiazol-5-ylmethyl)piperazin-1-yl]ethanone
CID 75518435
(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 71971550

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
The IUPAC name of 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone (CID 71854849) is 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone.
What is the SMILES notation for 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
The canonical SMILES for 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone is Cc1cc(C)cc(OCC(=O)N2CCC3(CCOC3)C2)c1.
What is the InChIKey of 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
The InChIKey is ULAPOZNABLRBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-13-7-14(2)9-15(8-13)21-10-16(19)18-5-3-17(11-18)4-6-20-12-17/h7-9H,3-6,10-12H2,1-2H3.
What are the key properties of 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone?
2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone has a molecular weight of 289.38 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone is sourced from PubChem (CID 71854849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).