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

C20H27ClN2O3 — CID 11245925

IUPAC8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C20H27ClN2O3/c1-22(12-13-26-17-7-3-2-6-16(17)21)10-11-23-18(24)14-20(15-19(23)25)8-4-5-9-20/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyRQOKWILVQFVGSH-UHFFFAOYSA-N
MW378.90 g/mol
LogP3.36
Rot. Bonds7

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

8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11245925) has the molecular formula C20H27ClN2O3 and a molecular weight of 378.90 g/mol. Its IUPAC name is 8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11245925
Molecular FormulaC20H27ClN2O3
Molecular Weight378.90 g/mol
Exact Mass378.17
IUPAC Name8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C20H27ClN2O3/c1-22(12-13-26-17-7-3-2-6-16(17)21)10-11-23-18(24)14-20(15-19(23)25)8-4-5-9-20/h2-3,6-7H,4-5,8-15H2,1H3
InChIKeyRQOKWILVQFVGSH-UHFFFAOYSA-N
XLogP3.36
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.90
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11245925) is 8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is CN(CCOc1ccccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is RQOKWILVQFVGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3/c1-22(12-13-26-17-7-3-2-6-16(17)21)10-11-23-18(24)14-20(15-19(23)25)8-4-5-9-20/h2-3,6-7H,4-5,8-15H2,1H3.
What are the key properties of 8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 378.90 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2-chlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11245925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).