(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

C22H20N2O5 — CID 51971757

IUPAC(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@]2(CC(c3ccc4c(c3)OCCO4)=NO2)C1=O
InChIInChI=1S/C22H20N2O5/c1-13-4-3-5-14(2)20(13)24-19(25)12-22(21(24)26)11-16(23-29-22)15-6-7-17-18(10-15)28-9-8-27-17/h3-7,10H,8-9,11-12H2,1-2H3/t22-/m1/s1
InChIKeyFFADMHMKJQQMFC-JOCHJYFZSA-N
MW392.41 g/mol
LogP2.90
Rot. Bonds2

About (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione

(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (PubChem CID 51971757) has the molecular formula C22H20N2O5 and a molecular weight of 392.41 g/mol. Its IUPAC name is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.

Molecular Properties

Compound Name(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
PubChem CID51971757
Molecular FormulaC22H20N2O5
Molecular Weight392.41 g/mol
Exact Mass392.14
IUPAC Name(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione
SMILESCc1cccc(C)c1N1C(=O)C[C@]2(CC(c3ccc4c(c3)OCCO4)=NO2)C1=O
InChIInChI=1S/C22H20N2O5/c1-13-4-3-5-14(2)20(13)24-19(25)12-22(21(24)26)11-16(23-29-22)15-6-7-17-18(10-15)28-9-8-27-17/h3-7,10H,8-9,11-12H2,1-2H3/t22-/m1/s1
InChIKeyFFADMHMKJQQMFC-JOCHJYFZSA-N
XLogP2.90
TPSA77.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.41
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione 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 (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The IUPAC name of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione (CID 51971757) is (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione.
What is the SMILES notation for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The canonical SMILES for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is Cc1cccc(C)c1N1C(=O)C[C@]2(CC(c3ccc4c(c3)OCCO4)=NO2)C1=O.
What is the InChIKey of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
The InChIKey is FFADMHMKJQQMFC-JOCHJYFZSA-N. The full InChI is InChI=1S/C22H20N2O5/c1-13-4-3-5-14(2)20(13)24-19(25)12-22(21(24)26)11-16(23-29-22)15-6-7-17-18(10-15)28-9-8-27-17/h3-7,10H,8-9,11-12H2,1-2H3/t22-/m1/s1.
What are the key properties of (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione?
(5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione has a molecular weight of 392.41 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-(2,6-dimethylphenyl)-1-oxa-2,7-diazaspiro[4.4]non-2-ene-6,8-dione is sourced from PubChem (CID 51971757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).