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

C19H25ClN2O3 — CID 11210745

IUPAC8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCNCCOc1ccccc1Cl
InChIInChI=1S/C19H25ClN2O3/c20-15-5-1-2-6-16(15)25-12-10-21-9-11-22-17(23)13-19(14-18(22)24)7-3-4-8-19/h1-2,5-6,21H,3-4,7-14H2
InChIKeyBADSRELYUVTCEO-UHFFFAOYSA-N
MW364.87 g/mol
LogP3.02
Rot. Bonds7

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

8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11210745) has the molecular formula C19H25ClN2O3 and a molecular weight of 364.87 g/mol. Its IUPAC name is 8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11210745
Molecular FormulaC19H25ClN2O3
Molecular Weight364.87 g/mol
Exact Mass364.16
IUPAC Name8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESO=C1CC2(CCCC2)CC(=O)N1CCNCCOc1ccccc1Cl
InChIInChI=1S/C19H25ClN2O3/c20-15-5-1-2-6-16(15)25-12-10-21-9-11-22-17(23)13-19(14-18(22)24)7-3-4-8-19/h1-2,5-6,21H,3-4,7-14H2
InChIKeyBADSRELYUVTCEO-UHFFFAOYSA-N
XLogP3.02
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.87
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11210745) is 8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is O=C1CC2(CCCC2)CC(=O)N1CCNCCOc1ccccc1Cl.
What is the InChIKey of 8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is BADSRELYUVTCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O3/c20-15-5-1-2-6-16(15)25-12-10-21-9-11-22-17(23)13-19(14-18(22)24)7-3-4-8-19/h1-2,5-6,21H,3-4,7-14H2.
What are the key properties of 8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 364.87 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2-chlorophenoxy)ethylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11210745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).