3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C20H18N2O4 — CID 4892100

IUPAC3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-3-7-15(8-4-13)22-18(23)12-20(19(22)24)11-17(21-26-20)14-5-9-16(25-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyUOXOCSASYNCNRE-UHFFFAOYSA-N
MW350.37 g/mol
LogP2.83
Rot. Bonds3

About 3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 4892100) has the molecular formula C20H18N2O4 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID4892100
Molecular FormulaC20H18N2O4
Molecular Weight350.37 g/mol
Exact Mass350.13
IUPAC Name3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCOc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1
InChIInChI=1S/C20H18N2O4/c1-13-3-7-15(8-4-13)22-18(23)12-20(19(22)24)11-17(21-26-20)14-5-9-16(25-2)10-6-14/h3-10H,11-12H2,1-2H3
InChIKeyUOXOCSASYNCNRE-UHFFFAOYSA-N
XLogP2.83
TPSA68.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of 3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 4892100) is 3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for 3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for 3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is COc1ccc(C2=NOC3(CC(=O)N(c4ccc(C)cc4)C3=O)C2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is UOXOCSASYNCNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4/c1-13-3-7-15(8-4-13)22-18(23)12-20(19(22)24)11-17(21-26-20)14-5-9-16(25-2)10-6-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
3-(4-methoxyphenyl)-7-(4-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 350.37 g/mol, XLogP of 2.83, 3 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-methylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 4892100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).