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

C20H22N2O2 — CID 134792561

IUPAC7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(C2=NOC3(CCN(Cc4ccccc4)C3)C2)cc1
InChIInChI=1S/C20H22N2O2/c1-23-18-9-7-17(8-10-18)19-13-20(24-21-19)11-12-22(15-20)14-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyVGZIDEPHCRVSHO-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.46
Rot. Bonds4

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

7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene (PubChem CID 134792561) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene.

Molecular Properties

Compound Name7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
PubChem CID134792561
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene
SMILESCOc1ccc(C2=NOC3(CCN(Cc4ccccc4)C3)C2)cc1
InChIInChI=1S/C20H22N2O2/c1-23-18-9-7-17(8-10-18)19-13-20(24-21-19)11-12-22(15-20)14-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3
InChIKeyVGZIDEPHCRVSHO-UHFFFAOYSA-N
XLogP3.46
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The IUPAC name of 7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene (CID 134792561) is 7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene.
What is the SMILES notation for 7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The canonical SMILES for 7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene is COc1ccc(C2=NOC3(CCN(Cc4ccccc4)C3)C2)cc1.
What is the InChIKey of 7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
The InChIKey is VGZIDEPHCRVSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-23-18-9-7-17(8-10-18)19-13-20(24-21-19)11-12-22(15-20)14-16-5-3-2-4-6-16/h2-10H,11-15H2,1H3.
What are the key properties of 7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene?
7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene has a molecular weight of 322.41 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-3-(4-methoxyphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene is sourced from PubChem (CID 134792561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).