(2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione

C21H20N2O3 — CID 139116064

IUPAC(2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C2(Cc3ccccc3C[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C21H20N2O3/c1-22-18(24)21(19(25)23(2)20(22)26)13-16-11-7-6-10-15(16)12-17(21)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyVNZCBVNFGQXBEY-QGZVFWFLSA-N
MW348.40 g/mol
LogP2.61
Rot. Bonds1

About (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione

(2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione (PubChem CID 139116064) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione.

Molecular Properties

Compound Name(2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione
PubChem CID139116064
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name(2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C2(Cc3ccccc3C[C@@H]2c2ccccc2)C1=O
InChIInChI=1S/C21H20N2O3/c1-22-18(24)21(19(25)23(2)20(22)26)13-16-11-7-6-10-15(16)12-17(21)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1
InChIKeyVNZCBVNFGQXBEY-QGZVFWFLSA-N
XLogP2.61
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione 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 (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione?
The IUPAC name of (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione (CID 139116064) is (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione.
What is the SMILES notation for (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione?
The canonical SMILES for (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione is CN1C(=O)N(C)C(=O)C2(Cc3ccccc3C[C@@H]2c2ccccc2)C1=O.
What is the InChIKey of (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione?
The InChIKey is VNZCBVNFGQXBEY-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-22-18(24)21(19(25)23(2)20(22)26)13-16-11-7-6-10-15(16)12-17(21)14-8-4-3-5-9-14/h3-11,17H,12-13H2,1-2H3/t17-/m1/s1.
What are the key properties of (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione?
(2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione has a molecular weight of 348.40 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R)-1,3-dimethyl-2'-phenylspiro[1,3-diazinane-5,3'-2,4-dihydro-1H-naphthalene]-2,4,6-trione is sourced from PubChem (CID 139116064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).