8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

C21H28N2O4 — CID 59144922

IUPAC8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(CCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2ccccc2O1
InChIInChI=1S/C21H28N2O4/c1-22(14-16-15-26-17-6-2-3-7-18(17)27-16)10-11-23-19(24)12-21(13-20(23)25)8-4-5-9-21/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeyYSVYQAQMBRJKPO-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.47
Rot. Bonds5

About 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 59144922) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID59144922
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(CCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2ccccc2O1
InChIInChI=1S/C21H28N2O4/c1-22(14-16-15-26-17-6-2-3-7-18(17)27-16)10-11-23-19(24)12-21(13-20(23)25)8-4-5-9-21/h2-3,6-7,16H,4-5,8-15H2,1H3
InChIKeyYSVYQAQMBRJKPO-UHFFFAOYSA-N
XLogP2.47
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

8-[2-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)ethyl]-8-azaspiro[4.5]decane-7,9-dione chloride
CID 71296977
8-[4-(2,3-dihydro-1,4-benzodioxin-3-ylmethylamino)butyl]-8-azaspiro[4.5]decane-7,9-dione;hydrochloride
CID 45073438
3-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]-N,N-dimethylpropanamide
CID 3064428
2-(benzenesulfonyl)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylethanamine
CID 71902930
8-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-8-azaspiro[4.5]decane-7,9-dione
CID 11474152
N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methyl-1-pyrrolidin-2-ylmethanamine
CID 106613861
3-[2-(diethylamino)ethyl]-3-azaspiro[5.5]undecane-2,4-dione
CID 125489551
2-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]isoindole-1,3-dione
CID 6933956
4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-7,8-dihydro-6H-cyclopenta[g]chromen-2-one
CID 27247141
[4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 51300695
1-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-methylimidazolidine-2,4,5-trione
CID 9375612
1-(benzylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-methylcyclopentane-1-carboxamide
CID 55618250

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 59144922) is 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is CN(CCN1C(=O)CC2(CCCC2)CC1=O)CC1COc2ccccc2O1.
What is the InChIKey of 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is YSVYQAQMBRJKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-22(14-16-15-26-17-6-2-3-7-18(17)27-16)10-11-23-19(24)12-21(13-20(23)25)8-4-5-9-21/h2-3,6-7,16H,4-5,8-15H2,1H3.
What are the key properties of 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 372.47 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 59144922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).