1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C15H18N2O4 — CID 115946079

IUPAC1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(N2C(=O)NC(=O)C(C(C)C)C2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-4-21-11-7-5-10(6-8-11)17-14(19)12(9(2)3)13(18)16-15(17)20/h5-9,12H,4H2,1-3H3,(H,16,18,20)
InChIKeyYWZUZNAYTGHWQX-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.94
Rot. Bonds4

About 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 115946079) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID115946079
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(N2C(=O)NC(=O)C(C(C)C)C2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-4-21-11-7-5-10(6-8-11)17-14(19)12(9(2)3)13(18)16-15(17)20/h5-9,12H,4H2,1-3H3,(H,16,18,20)
InChIKeyYWZUZNAYTGHWQX-UHFFFAOYSA-N
XLogP1.94
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-[(4-ethoxyphenyl)methyl]-1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
CID 1256748
5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
CID 112601168
1-(4-fluoro-3-methoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 114841220
3-[[(5R)-1-(4-ethoxyphenyl)-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]propyl-dimethylazanium
CID 7367137
2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 2853944
(3aS,7aR)-2-(4-ethoxyphenyl)-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 7032574
(3aR,7aR)-2-(4-ethoxyphenyl)-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 872279
5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione
CID 115947516
5-[(4-ethoxyphenyl)methylidene]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
CID 1359018
[(3R)-1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]azanium
CID 7198359
5-[2-(dimethylamino)ethyl]-1-(4-ethoxyphenyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3033752
(5Z)-1-(4-ethoxyphenyl)-5-[2-(4-ethoxyphenyl)ethylidene]-1,3-diazinane-2,4,6-trione
CID 58957349

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 115946079) is 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CCOc1ccc(N2C(=O)NC(=O)C(C(C)C)C2=O)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is YWZUZNAYTGHWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-21-11-7-5-10(6-8-11)17-14(19)12(9(2)3)13(18)16-15(17)20/h5-9,12H,4H2,1-3H3,(H,16,18,20).
What are the key properties of 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 290.32 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115946079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).