5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione

C12H14N2O4 — CID 114144840

IUPAC5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(N2C(=O)NCC(OC)C2=O)cc1
InChIInChI=1S/C12H14N2O4/c1-17-9-5-3-8(4-6-9)14-11(15)10(18-2)7-13-12(14)16/h3-6,10H,7H2,1-2H3,(H,13,16)
InChIKeyXRSJTZGDFNKVHZ-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.77
Rot. Bonds3

About 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione

5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione (PubChem CID 114144840) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
PubChem CID114144840
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Name5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione
SMILESCOc1ccc(N2C(=O)NCC(OC)C2=O)cc1
InChIInChI=1S/C12H14N2O4/c1-17-9-5-3-8(4-6-9)14-11(15)10(18-2)7-13-12(14)16/h3-6,10H,7H2,1-2H3,(H,13,16)
InChIKeyXRSJTZGDFNKVHZ-UHFFFAOYSA-N
XLogP0.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450908
2-(4-methoxyphenyl)-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 3577375
N-(2,5-dichlorophenyl)-1-(4-methoxyphenyl)-2,6-dioxo-1,3-diazinane-5-carboxamide
CID 78450787
3-(4-methoxyphenyl)-5-thiophen-2-ylimidazolidine-2,4-dione
CID 115285697
(1S,2S,6S,7S)-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 23306216
(1S,2S,6R,7S,8S,9S)-8,9-dihydroxy-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 98152404
(5S)-3-(4-methoxyphenyl)-5-methyl-2-sulfanylideneimidazolidin-4-one
CID 7129164
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-1-(4-methoxyphenyl)-4-oxoazetidin-2-yl]-1-(4-methoxyphenyl)azetidin-2-one
CID 102496056
(1R,2R,6S,7S,8R,9S)-8,9-dibromo-4-(4-methoxyphenyl)-4-azatricyclo[5.2.1.02,6]decane-3,5-dione
CID 18390406
(3S)-1-(4-methoxyphenyl)-3-[4-[(3S)-1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]piperazin-1-yl]pyrrolidine-2,5-dione
CID 1070802
(1S,2R,6S,7S,8R,10S)-4-(4-methoxyphenyl)-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124716298
(3S)-1-(4-methoxyphenyl)-3-propan-2-ylpyrrolidine-2,5-dione
CID 102380691

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The IUPAC name of 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione (CID 114144840) is 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione is COc1ccc(N2C(=O)NCC(OC)C2=O)cc1.
What is the InChIKey of 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
The InChIKey is XRSJTZGDFNKVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-17-9-5-3-8(4-6-9)14-11(15)10(18-2)7-13-12(14)16/h3-6,10H,7H2,1-2H3,(H,13,16).
What are the key properties of 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione?
5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione has a molecular weight of 250.25 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(4-methoxyphenyl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 114144840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).