8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

C20H26Cl2N2O3 — CID 11395842

IUPAC8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C20H26Cl2N2O3/c1-23(10-11-27-17-12-15(21)4-5-16(17)22)8-9-24-18(25)13-20(14-19(24)26)6-2-3-7-20/h4-5,12H,2-3,6-11,13-14H2,1H3
InChIKeyTZYSFWCODVUWBW-UHFFFAOYSA-N
MW413.35 g/mol
LogP4.01
Rot. Bonds7

About 8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione

8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (PubChem CID 11395842) has the molecular formula C20H26Cl2N2O3 and a molecular weight of 413.35 g/mol. Its IUPAC name is 8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.

Molecular Properties

Compound Name8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
PubChem CID11395842
Molecular FormulaC20H26Cl2N2O3
Molecular Weight413.35 g/mol
Exact Mass412.13
IUPAC Name8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione
SMILESCN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O
InChIInChI=1S/C20H26Cl2N2O3/c1-23(10-11-27-17-12-15(21)4-5-16(17)22)8-9-24-18(25)13-20(14-19(24)26)6-2-3-7-20/h4-5,12H,2-3,6-11,13-14H2,1H3
InChIKeyTZYSFWCODVUWBW-UHFFFAOYSA-N
XLogP4.01
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.35
LogP ≤ 54.01
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-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The IUPAC name of 8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione (CID 11395842) is 8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione.
What is the SMILES notation for 8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The canonical SMILES for 8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is CN(CCOc1cc(Cl)ccc1Cl)CCN1C(=O)CC2(CCCC2)CC1=O.
What is the InChIKey of 8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
The InChIKey is TZYSFWCODVUWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O3/c1-23(10-11-27-17-12-15(21)4-5-16(17)22)8-9-24-18(25)13-20(14-19(24)26)6-2-3-7-20/h4-5,12H,2-3,6-11,13-14H2,1H3.
What are the key properties of 8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione?
8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione has a molecular weight of 413.35 g/mol, XLogP of 4.01, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[2-(2,5-dichlorophenoxy)ethyl-methylamino]ethyl]-8-azaspiro[4.5]decane-7,9-dione is sourced from PubChem (CID 11395842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).