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

C19H20N2O3 — CID 24834094

IUPAC5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(Cc2cccc3ccccc23)C(=O)NC(=O)NC1=O
InChIInChI=1S/C19H20N2O3/c1-2-3-11-19(16(22)20-18(24)21-17(19)23)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3,(H2,20,21,22,23,24)
InChIKeyLZQRWTVODPWGLF-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.92
Rot. Bonds5

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

5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 24834094) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID24834094
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(Cc2cccc3ccccc23)C(=O)NC(=O)NC1=O
InChIInChI=1S/C19H20N2O3/c1-2-3-11-19(16(22)20-18(24)21-17(19)23)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3,(H2,20,21,22,23,24)
InChIKeyLZQRWTVODPWGLF-UHFFFAOYSA-N
XLogP2.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,5-dibutyl-2-naphthalen-1-yl-1,3-dioxane-4,6-dione
CID 151375847
1-butylnaphthalene;ethane
CID 142087052
azane;1-ethylnaphthalene
CID 19048185
azane;1-butylnaphthalene;methane
CID 174691035
1-tetradecylnaphthalene
CID 14402128
sodium;1-ethylnaphthalene;hydride
CID 174300793
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
5-ethyl-5-(naphthalen-1-ylmethyl)pyrrolidin-2-one
CID 104687535
potassium;hydride;1-octylnaphthalene
CID 173443599
5-benzyl-5-butylimidazolidine-2,4-dione
CID 174713775
1-pentylnaphthalene;sulfuric acid
CID 172842201
butyl-ethyl-(naphthalen-1-ylmethyl)azanium
CID 7322271

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 24834094) is 5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione is CCCCC1(Cc2cccc3ccccc23)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is LZQRWTVODPWGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-2-3-11-19(16(22)20-18(24)21-17(19)23)12-14-9-6-8-13-7-4-5-10-15(13)14/h4-10H,2-3,11-12H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione?
5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 324.38 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-(naphthalen-1-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 24834094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).