7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane

C22H33NO5 — CID 71123867

IUPAC7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCOc1ccc(CCOC2CCCCC2N2CCC3(C2)OCCO3)cc1OC
InChIInChI=1S/C22H33NO5/c1-24-20-8-7-17(15-21(20)25-2)9-12-26-19-6-4-3-5-18(19)23-11-10-22(16-23)27-13-14-28-22/h7-8,15,18-19H,3-6,9-14,16H2,1-2H3
InChIKeyFZBQGKNQUGVJNS-UHFFFAOYSA-N
MW391.51 g/mol
LogP3.02
Rot. Bonds7

About 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane

7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane (PubChem CID 71123867) has the molecular formula C22H33NO5 and a molecular weight of 391.51 g/mol. Its IUPAC name is 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane.

Molecular Properties

Compound Name7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane
PubChem CID71123867
Molecular FormulaC22H33NO5
Molecular Weight391.51 g/mol
Exact Mass391.24
IUPAC Name7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane
SMILESCOc1ccc(CCOC2CCCCC2N2CCC3(C2)OCCO3)cc1OC
InChIInChI=1S/C22H33NO5/c1-24-20-8-7-17(15-21(20)25-2)9-12-26-19-6-4-3-5-18(19)23-11-10-22(16-23)27-13-14-28-22/h7-8,15,18-19H,3-6,9-14,16H2,1-2H3
InChIKeyFZBQGKNQUGVJNS-UHFFFAOYSA-N
XLogP3.02
TPSA49.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.51
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The IUPAC name of 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane (CID 71123867) is 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane.
What is the SMILES notation for 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The canonical SMILES for 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane is COc1ccc(CCOC2CCCCC2N2CCC3(C2)OCCO3)cc1OC.
What is the InChIKey of 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
The InChIKey is FZBQGKNQUGVJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33NO5/c1-24-20-8-7-17(15-21(20)25-2)9-12-26-19-6-4-3-5-18(19)23-11-10-22(16-23)27-13-14-28-22/h7-8,15,18-19H,3-6,9-14,16H2,1-2H3.
What are the key properties of 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane?
7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane has a molecular weight of 391.51 g/mol, XLogP of 3.02, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-[2-(3,4-dimethoxyphenyl)ethoxy]cyclohexyl]-1,4-dioxa-7-azaspiro[4.4]nonane is sourced from PubChem (CID 71123867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).