2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone

C23H34N2O3 — CID 131679242

IUPAC2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone
SMILESCc1ccccc1OCC(=O)N1CCCC12CCCN(CC1CCCO1)CC2
InChIInChI=1S/C23H34N2O3/c1-19-7-2-3-9-21(19)28-18-22(26)25-14-6-11-23(25)10-5-13-24(15-12-23)17-20-8-4-16-27-20/h2-3,7,9,20H,4-6,8,10-18H2,1H3
InChIKeyWPNLMIJJGCJYLI-UHFFFAOYSA-N
MW386.54 g/mol
LogP3.40
Rot. Bonds5

About 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone

2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone (PubChem CID 131679242) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone
PubChem CID131679242
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone
SMILESCc1ccccc1OCC(=O)N1CCCC12CCCN(CC1CCCO1)CC2
InChIInChI=1S/C23H34N2O3/c1-19-7-2-3-9-21(19)28-18-22(26)25-14-6-11-23(25)10-5-13-24(15-12-23)17-20-8-4-16-27-20/h2-3,7,9,20H,4-6,8,10-18H2,1H3
InChIKeyWPNLMIJJGCJYLI-UHFFFAOYSA-N
XLogP3.40
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone with MolForge

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Related Compounds

1-[(4aS,8aS)-5,8a-dimethyl-3,4,4a,6,7,8-hexahydro-2H-1,5-naphthyridin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110141523
2-[2-oxo-2-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethoxy]benzonitrile
CID 51165264
ethyl 1-(oxolan-2-ylmethyl)-4-phenylpiperidine-4-carboxylate
CID 11971870
2-methyl-1-[2-(2-methylphenoxy)acetyl]pyrrolidine-3-carboxylic acid
CID 79364360
2-(2-chloro-4-fluorophenoxy)-1-[4-[[(2R)-oxolan-2-yl]methyl]piperazin-1-yl]ethanone
CID 9166982
(2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
CID 131678940
N-(2,6-dimethylphenyl)-4-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105451
1-(oxolan-2-ylmethyl)piperidine-4,4-dicarboxylic acid
CID 117007978
1-[4-(cyclopentanecarbonyl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 110366114
(5R)-7-(cyclopropylmethyl)-2-[2-(2-methylphenoxy)acetyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97127379
[2-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 2593762
1-(2-ethylpiperidin-1-yl)-2-(2-methylphenoxy)ethanone
CID 112977253

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone?
The IUPAC name of 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone (CID 131679242) is 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone.
What is the SMILES notation for 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone?
The canonical SMILES for 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone is Cc1ccccc1OCC(=O)N1CCCC12CCCN(CC1CCCO1)CC2.
What is the InChIKey of 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone?
The InChIKey is WPNLMIJJGCJYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-19-7-2-3-9-21(19)28-18-22(26)25-14-6-11-23(25)10-5-13-24(15-12-23)17-20-8-4-16-27-20/h2-3,7,9,20H,4-6,8,10-18H2,1H3.
What are the key properties of 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone?
2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone has a molecular weight of 386.54 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenoxy)-1-[9-(oxolan-2-ylmethyl)-1,9-diazaspiro[4.6]undecan-1-yl]ethanone is sourced from PubChem (CID 131679242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).