1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione

C15H18N2O3 — CID 115946982

IUPAC1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C15H18N2O3/c1-3-5-12-13(18)16-15(20)17(14(12)19)9-11-7-4-6-10(2)8-11/h4,6-8,12H,3,5,9H2,1-2H3,(H,16,18,20)
InChIKeyZFIHZBGYSAYNCZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.99
Rot. Bonds4

About 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione

1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 115946982) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID115946982
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(Cc2cccc(C)c2)C1=O
InChIInChI=1S/C15H18N2O3/c1-3-5-12-13(18)16-15(20)17(14(12)19)9-11-7-4-6-10(2)8-11/h4,6-8,12H,3,5,9H2,1-2H3,(H,16,18,20)
InChIKeyZFIHZBGYSAYNCZ-UHFFFAOYSA-N
XLogP1.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.99
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-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946971
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
1-(3,4-dimethylphenyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115945885
(3aS,7aS)-2-[(3-methylphenyl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 98346033
5-methyl-1-[(3-methylphenyl)methyl]-1,3-diazinane-2,4-dione
CID 76875693
5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
CID 91699920
3-ethyl-5-[(3-methylphenyl)methyl]imidazolidine-2,4-dione
CID 71169888
3-methyl-1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 60902619
6-butan-2-yl-3-methyl-1-[(3-methylphenyl)methyl]piperazine-2,5-dione
CID 64873895
8-butylsulfanyl-3-methyl-7-[(3-methylphenyl)methyl]-4,5-dihydropurine-2,6-dione
CID 78303761
(5R,6R)-6-methyl-3-[(3-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 40898355
1-[(3-methylphenyl)methyl]-3-nitroso-3H-indol-2-one
CID 91934419

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione (CID 115946982) is 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(Cc2cccc(C)c2)C1=O.
What is the InChIKey of 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ZFIHZBGYSAYNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-3-5-12-13(18)16-15(20)17(14(12)19)9-11-7-4-6-10(2)8-11/h4,6-8,12H,3,5,9H2,1-2H3,(H,16,18,20).
What are the key properties of 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione?
1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 274.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115946982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).