(2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone

C21H30N2O3 — CID 131678940

IUPAC(2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCC2(CCN2CC2CCCO2)C1
InChIInChI=1S/C21H30N2O3/c1-2-25-19-9-4-3-8-18(19)20(24)22-12-6-10-21(16-22)11-13-23(21)15-17-7-5-14-26-17/h3-4,8-9,17H,2,5-7,10-16H2,1H3
InChIKeyDZHBLKOFFCHPFA-UHFFFAOYSA-N
MW358.48 g/mol
LogP2.94
Rot. Bonds5

About (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone

(2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone (PubChem CID 131678940) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone.

Molecular Properties

Compound Name(2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
PubChem CID131678940
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone
SMILESCCOc1ccccc1C(=O)N1CCCC2(CCN2CC2CCCO2)C1
InChIInChI=1S/C21H30N2O3/c1-2-25-19-9-4-3-8-18(19)20(24)22-12-6-10-21(16-22)11-13-23(21)15-17-7-5-14-26-17/h3-4,8-9,17H,2,5-7,10-16H2,1H3
InChIKeyDZHBLKOFFCHPFA-UHFFFAOYSA-N
XLogP2.94
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methylphenyl)-[(4R)-1-[[(2R)-oxolan-2-yl]methyl]-1,7-diazaspiro[3.4]octan-7-yl]methanone
CID 124819663
(3R)-3-methyl-1-[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148522
(3R)-3-methyl-1-[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 125148523
3-methyl-1-[2-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-3-carboxylic acid
CID 119256061
1-(2-ethoxybenzoyl)-3-methyl-N-[(2-methylphenyl)methyl]piperidine-3-carboxamide
CID 53011146
[(3S)-3-methylpiperazin-1-yl]-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124591399
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(2-ethoxyphenyl)methanone
CID 17250136
1,4-diazepan-1-yl-[2-[[(2R)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124610969
(3S)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718493
(3R)-1'-(2-ethoxybenzoyl)spiro[1H-indole-3,3'-piperidine]-2-one
CID 95718494
1-(2-ethoxybenzoyl)-N'-hydroxypiperidine-3-carboximidamide
CID 77041537
1-(2-ethoxybenzoyl)-N-[(4-methoxyphenyl)methyl]-3-methylpiperidine-3-carboxamide
CID 53117030

Frequently Asked Questions

What is the IUPAC name of (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone?
The IUPAC name of (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone (CID 131678940) is (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone.
What is the SMILES notation for (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone?
The canonical SMILES for (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone is CCOc1ccccc1C(=O)N1CCCC2(CCN2CC2CCCO2)C1.
What is the InChIKey of (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone?
The InChIKey is DZHBLKOFFCHPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-2-25-19-9-4-3-8-18(19)20(24)22-12-6-10-21(16-22)11-13-23(21)15-17-7-5-14-26-17/h3-4,8-9,17H,2,5-7,10-16H2,1H3.
What are the key properties of (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone?
(2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone has a molecular weight of 358.48 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxyphenyl)-[1-(oxolan-2-ylmethyl)-1,8-diazaspiro[3.5]nonan-8-yl]methanone is sourced from PubChem (CID 131678940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).