4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane

C21H33ClN2O2 — CID 142320936

IUPAC4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane
SMILESCC.CN(C)C(=O)c1ccc(OCCC2CC3(CCNCC3)C2)cc1Cl
InChIInChI=1S/C19H27ClN2O2.C2H6/c1-22(2)18(23)16-4-3-15(11-17(16)20)24-10-5-14-12-19(13-14)6-8-21-9-7-19;1-2/h3-4,11,14,21H,5-10,12-13H2,1-2H3;1-2H3
InChIKeyDOARDJBODUDXBT-UHFFFAOYSA-N
MW380.96 g/mol
LogP4.62
Rot. Bonds5

About 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane

4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane (PubChem CID 142320936) has the molecular formula C21H33ClN2O2 and a molecular weight of 380.96 g/mol. Its IUPAC name is 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane.

Molecular Properties

Compound Name4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane
PubChem CID142320936
Molecular FormulaC21H33ClN2O2
Molecular Weight380.96 g/mol
Exact Mass380.22
IUPAC Name4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane
SMILESCC.CN(C)C(=O)c1ccc(OCCC2CC3(CCNCC3)C2)cc1Cl
InChIInChI=1S/C19H27ClN2O2.C2H6/c1-22(2)18(23)16-4-3-15(11-17(16)20)24-10-5-14-12-19(13-14)6-8-21-9-7-19;1-2/h3-4,11,14,21H,5-10,12-13H2,1-2H3;1-2H3
InChIKeyDOARDJBODUDXBT-UHFFFAOYSA-N
XLogP4.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.96
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane?
The IUPAC name of 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane (CID 142320936) is 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane.
What is the SMILES notation for 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane?
The canonical SMILES for 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane is CC.CN(C)C(=O)c1ccc(OCCC2CC3(CCNCC3)C2)cc1Cl.
What is the InChIKey of 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane?
The InChIKey is DOARDJBODUDXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27ClN2O2.C2H6/c1-22(2)18(23)16-4-3-15(11-17(16)20)24-10-5-14-12-19(13-14)6-8-21-9-7-19;1-2/h3-4,11,14,21H,5-10,12-13H2,1-2H3;1-2H3.
What are the key properties of 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane?
4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane has a molecular weight of 380.96 g/mol, XLogP of 4.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(7-azaspiro[3.5]nonan-2-yl)ethoxy]-2-chloro-N,N-dimethylbenzamide;ethane is sourced from PubChem (CID 142320936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).