3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

C21H24N2O3 — CID 134794457

IUPAC3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(CN2CCC3(CC(c4ccc(OC)cc4)=NO3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-24-18-7-3-16(4-8-18)14-23-12-11-21(15-23)13-20(22-26-21)17-5-9-19(25-2)10-6-17/h3-10H,11-15H2,1-2H3
InChIKeyYRDLAASODCXHRJ-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.47
Rot. Bonds5

About 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene

3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134794457) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134794457
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Name3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(CN2CCC3(CC(c4ccc(OC)cc4)=NO3)C2)cc1
InChIInChI=1S/C21H24N2O3/c1-24-18-7-3-16(4-8-18)14-23-12-11-21(15-23)13-20(22-26-21)17-5-9-19(25-2)10-6-17/h3-10H,11-15H2,1-2H3
InChIKeyYRDLAASODCXHRJ-UHFFFAOYSA-N
XLogP3.47
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134794457) is 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is COc1ccc(CN2CCC3(CC(c4ccc(OC)cc4)=NO3)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is YRDLAASODCXHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-24-18-7-3-16(4-8-18)14-23-12-11-21(15-23)13-20(22-26-21)17-5-9-19(25-2)10-6-17/h3-10H,11-15H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 352.43 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134794457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).