1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione

C15H18N2O3 — CID 12954845

IUPAC1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(CCCc2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C15H18N2O3/c1-16-13(18)12(14(19)17(2)15(16)20)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyHIROIJBNKWEVNE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.68
Rot. Bonds4

About 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione

1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione (PubChem CID 12954845) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
PubChem CID12954845
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)C(CCCc2ccccc2)C(=O)N(C)C1=O
InChIInChI=1S/C15H18N2O3/c1-16-13(18)12(14(19)17(2)15(16)20)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3
InChIKeyHIROIJBNKWEVNE-UHFFFAOYSA-N
XLogP1.68
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-phenylpropyl)cyclopentane-1,3-dione
CID 25171357
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
1,3-dimethyl-5-pentyl-1,3-diazinane-2,4,6-trione
CID 67314603
(4S)-2-hydroxy-4-(3-phenylpropyl)-4H-isoquinoline-1,3-dione
CID 86341459
5,5-dimethyl-2-(3-phenylpropyl)cyclohexane-1,3-dione
CID 134953358
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
CID 171374663
CID 171374663
1-methyl-3-(2-phenylethyl)pyrrolidin-2-one
CID 24974613
1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946971
4-ethyl-5-methyl-2-(3-phenylpropyl)-4H-pyrazol-3-one
CID 55167339
4-cyclopropylbutylbenzene
CID 10261592
3-benzyl-1-methyl-3H-indol-2-one
CID 11207126

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione (CID 12954845) is 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione is CN1C(=O)C(CCCc2ccccc2)C(=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HIROIJBNKWEVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-16-13(18)12(14(19)17(2)15(16)20)10-6-9-11-7-4-3-5-8-11/h3-5,7-8,12H,6,9-10H2,1-2H3.
What are the key properties of 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 274.32 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(3-phenylpropyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12954845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).