5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione

C15H18N2O3 — CID 3069865

IUPAC5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N(C(C)C)C1=O
InChIInChI=1S/C15H18N2O3/c1-4-15(11-8-6-5-7-9-11)12(18)16-14(20)17(10(2)3)13(15)19/h5-10H,4H2,1-3H3,(H,16,18,20)
InChIKeyHNGDKRLBOXOMGC-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.82
Rot. Bonds3

About 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione

5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 3069865) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID3069865
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N(C(C)C)C1=O
InChIInChI=1S/C15H18N2O3/c1-4-15(11-8-6-5-7-9-11)12(18)16-14(20)17(10(2)3)13(15)19/h5-10H,4H2,1-3H3,(H,16,18,20)
InChIKeyHNGDKRLBOXOMGC-UHFFFAOYSA-N
XLogP1.82
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.82
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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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 3069865) is 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)NC(=O)N(C(C)C)C1=O.
What is the InChIKey of 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is HNGDKRLBOXOMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-15(11-8-6-5-7-9-11)12(18)16-14(20)17(10(2)3)13(15)19/h5-10H,4H2,1-3H3,(H,16,18,20).
What are the key properties of 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione?
5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 274.32 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-phenyl-1-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3069865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).