1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione

C17H16N2O3 — CID 2294595

IUPAC1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(Cc2cccc3ccccc23)C(=O)N(C)C1=O
InChIInChI=1S/C17H16N2O3/c1-18-15(20)14(16(21)19(2)17(18)22)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,14H,10H2,1-2H3
InChIKeyQMUOMEHSESLNCG-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.05
Rot. Bonds2

About 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2294595) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID2294595
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(Cc2cccc3ccccc23)C(=O)N(C)C1=O
InChIInChI=1S/C17H16N2O3/c1-18-15(20)14(16(21)19(2)17(18)22)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,14H,10H2,1-2H3
InChIKeyQMUOMEHSESLNCG-UHFFFAOYSA-N
XLogP2.05
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 2294595) is 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione is CN1C(=O)C(Cc2cccc3ccccc23)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is QMUOMEHSESLNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-18-15(20)14(16(21)19(2)17(18)22)10-12-8-5-7-11-6-3-4-9-13(11)12/h3-9,14H,10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 296.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2294595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).