8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

C20H28N2O4 — CID 11279872

IUPAC8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C20H28N2O4/c1-25-16-6-2-3-7-17(16)26-13-11-21-10-12-22-18(23)14-20(15-19(22)24)8-4-5-9-20/h2-3,6-7,21H,4-5,8-15H2,1H3
InChIKeyDPIGTZTZLGWBTO-UHFFFAOYSA-N
MW360.45 g/mol
LogP2.37
Rot. Bonds8

About 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11279872) has the molecular formula C20H28N2O4 and a molecular weight of 360.45 g/mol. Its IUPAC name is 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11279872
Molecular FormulaC20H28N2O4
Molecular Weight360.45 g/mol
Exact Mass360.20
IUPAC Name8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCOc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C20H28N2O4/c1-25-16-6-2-3-7-17(16)26-13-11-21-10-12-22-18(23)14-20(15-19(22)24)8-4-5-9-20/h2-3,6-7,21H,4-5,8-15H2,1H3
InChIKeyDPIGTZTZLGWBTO-UHFFFAOYSA-N
XLogP2.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.45
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Binospirone Mesylate
CID 71346
Binospirone
CID 60769
Mdl 72832
CID 182585
Tocris-0412
CID 6604720
N-[2-(2-methoxyphenoxy)ethyl]cyclohexanecarboxamide
CID 2975398
2-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 8384866
1-acetyl-N-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 9534152
Binospirone, (S)-
CID 6604719
8-(2-{[2-(2-Methoxy-phenoxy)-ethyl]-methyl-amino}-ethyl)-8-aza-spiro[4.5]decane-7,9-dione
CID 11485631
8-[4-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
CID 23786480
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-[2-(2-methoxyphenoxy)ethyl]acetamide
CID 25162197
8-{2-[2-(2-Chloro-phenoxy)-ethylamino]-ethyl}-8-aza-spiro[4.5]decane-7,9-dione
CID 11210745

Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11279872) is 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is COc1ccccc1OCCNCCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is DPIGTZTZLGWBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O4/c1-25-16-6-2-3-7-17(16)26-13-11-21-10-12-22-18(23)14-20(15-19(22)24)8-4-5-9-20/h2-3,6-7,21H,4-5,8-15H2,1H3.
What are the key properties of 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 360.45 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2-methoxyphenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11279872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).