9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

C18H27NO4 — CID 75475758

IUPAC9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCCCOc1ccc(CN2CCCC3(C2)OCCO3)cc1OC
InChIInChI=1S/C18H27NO4/c1-3-9-21-16-6-5-15(12-17(16)20-2)13-19-8-4-7-18(14-19)22-10-11-23-18/h5-6,12H,3-4,7-11,13-14H2,1-2H3
InChIKeyFNJNCKCYSUMLLA-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.82
Rot. Bonds6

About 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane

9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (PubChem CID 75475758) has the molecular formula C18H27NO4 and a molecular weight of 321.42 g/mol. Its IUPAC name is 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
PubChem CID75475758
Molecular FormulaC18H27NO4
Molecular Weight321.42 g/mol
Exact Mass321.19
IUPAC Name9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane
SMILESCCCOc1ccc(CN2CCCC3(C2)OCCO3)cc1OC
InChIInChI=1S/C18H27NO4/c1-3-9-21-16-6-5-15(12-17(16)20-2)13-19-8-4-7-18(14-19)22-10-11-23-18/h5-6,12H,3-4,7-11,13-14H2,1-2H3
InChIKeyFNJNCKCYSUMLLA-UHFFFAOYSA-N
XLogP2.82
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane (CID 75475758) is 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is CCCOc1ccc(CN2CCCC3(C2)OCCO3)cc1OC.
What is the InChIKey of 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
The InChIKey is FNJNCKCYSUMLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO4/c1-3-9-21-16-6-5-15(12-17(16)20-2)13-19-8-4-7-18(14-19)22-10-11-23-18/h5-6,12H,3-4,7-11,13-14H2,1-2H3.
What are the key properties of 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane?
9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane has a molecular weight of 321.42 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(3-methoxy-4-propoxyphenyl)methyl]-1,4-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 75475758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).