5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione

C15H18N2O5 — CID 70454826

IUPAC5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC(C)C2C(=O)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C15H18N2O5/c1-8(12-13(18)16-15(20)17-14(12)19)6-9-4-5-10(21-2)11(7-9)22-3/h4-5,7-8,12H,6H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYGSWJGUMQLOPOZ-UHFFFAOYSA-N
MW306.32 g/mol
LogP0.86
Rot. Bonds5

About 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione

5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione (PubChem CID 70454826) has the molecular formula C15H18N2O5 and a molecular weight of 306.32 g/mol. Its IUPAC name is 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione
PubChem CID70454826
Molecular FormulaC15H18N2O5
Molecular Weight306.32 g/mol
Exact Mass306.12
IUPAC Name5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC(C)C2C(=O)NC(=O)NC2=O)cc1OC
InChIInChI=1S/C15H18N2O5/c1-8(12-13(18)16-15(20)17-14(12)19)6-9-4-5-10(21-2)11(7-9)22-3/h4-5,7-8,12H,6H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyYGSWJGUMQLOPOZ-UHFFFAOYSA-N
XLogP0.86
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[(2R,3R)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutyl]-1,2-dimethoxybenzene
CID 515707
2-[1-(3,4-dimethoxyphenyl)propan-2-yl]cyclopropane-1-carboxylic acid
CID 83928902
4-(3-chloro-2-methylpropyl)-1,2-dimethoxybenzene
CID 64666940
3-[(3,4-dimethoxyphenyl)methyl]pentan-2-ol
CID 79422765
(3R)-3-[[(2S)-1-(3,4-dimethoxyphenyl)propan-2-yl]amino]azepan-2-one
CID 42563386
3-[(3,4-dimethoxyphenyl)methyl]pentane-2,4-dione
CID 137479905
(2S,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 58000802
(2R,3R)-2,3-bis[(3,4-dimethoxyphenyl)methyl]butanedioic acid
CID 10693323
1-(3,4-dimethoxyphenyl)-2-methylpentan-3-one
CID 79019340
1-(3,4-dimethoxyphenyl)propan-2-yl methanesulfonate
CID 21192341
(2S)-2-bromo-3-(3,4-dimethoxyphenyl)propanoic acid
CID 11077082
4-(3,4-dimethoxyphenyl)-3-hydroxybutan-2-one
CID 11276143

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione (CID 70454826) is 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione is COc1ccc(CC(C)C2C(=O)NC(=O)NC2=O)cc1OC.
What is the InChIKey of 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione?
The InChIKey is YGSWJGUMQLOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5/c1-8(12-13(18)16-15(20)17-14(12)19)6-9-4-5-10(21-2)11(7-9)22-3/h4-5,7-8,12H,6H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione?
5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione has a molecular weight of 306.32 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 70454826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).