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

C16H20N2O3 — CID 115947516

IUPAC5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCCc1ccccc1N1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C16H20N2O3/c1-4-7-11-8-5-6-9-12(11)18-15(20)13(10(2)3)14(19)17-16(18)21/h5-6,8-10,13H,4,7H2,1-3H3,(H,17,19,21)
InChIKeyMDKCAUKYWQZFKX-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.49
Rot. Bonds4

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

5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 115947516) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID115947516
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCCc1ccccc1N1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C16H20N2O3/c1-4-7-11-8-5-6-9-12(11)18-15(20)13(10(2)3)14(19)17-16(18)21/h5-6,8-10,13H,4,7H2,1-3H3,(H,17,19,21)
InChIKeyMDKCAUKYWQZFKX-UHFFFAOYSA-N
XLogP2.49
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-ethoxyphenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115946079
5-benzhydryl-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 18552523
1-(5-bromo-2-chlorophenyl)-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115947982
3-propan-2-yl-1-(2-propylphenyl)-1,4-diazepane-2,5-dione
CID 64966192
5-propan-2-yl-1-thiophen-3-yl-1,3-diazinane-2,4,6-trione
CID 112601168
1-[(3-ethyl-2-pyridinyl)methyl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 115949033
1-(2-methylsulfanylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 107647379
3-methyl-1-(2-propylphenyl)pyrrole-2,5-dione
CID 60975787
2,5-di(propan-2-yl)-1-(2-propylphenyl)piperazine
CID 64938901
(5R)-5-benzhydryl-1-phenyl-1,3-diazinane-2,4,6-trione
CID 7038000
1-hexan-2-yl-5-propan-2-yl-1,3-diazinane-2,4,6-trione
CID 112600366
5-bromo-2-(2-propylphenyl)isoindole-1,3-dione
CID 86154964

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione (CID 115947516) is 5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione is CCCc1ccccc1N1C(=O)NC(=O)C(C(C)C)C1=O.
What is the InChIKey of 5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is MDKCAUKYWQZFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-4-7-11-8-5-6-9-12(11)18-15(20)13(10(2)3)14(19)17-16(18)21/h5-6,8-10,13H,4,7H2,1-3H3,(H,17,19,21).
What are the key properties of 5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione?
5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 288.35 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-1-(2-propylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115947516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).