5-phenyl-3-propyl-1,3-diazinane-2,4-dione

C13H16N2O2 — CID 62884724

IUPAC5-phenyl-3-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)NCC(c2ccccc2)C1=O
InChIInChI=1S/C13H16N2O2/c1-2-8-15-12(16)11(9-14-13(15)17)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,17)
InChIKeyGJJOUWDDJQLFPP-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.73
Rot. Bonds3

About 5-phenyl-3-propyl-1,3-diazinane-2,4-dione

5-phenyl-3-propyl-1,3-diazinane-2,4-dione (PubChem CID 62884724) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 5-phenyl-3-propyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-phenyl-3-propyl-1,3-diazinane-2,4-dione
PubChem CID62884724
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name5-phenyl-3-propyl-1,3-diazinane-2,4-dione
SMILESCCCN1C(=O)NCC(c2ccccc2)C1=O
InChIInChI=1S/C13H16N2O2/c1-2-8-15-12(16)11(9-14-13(15)17)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,17)
InChIKeyGJJOUWDDJQLFPP-UHFFFAOYSA-N
XLogP1.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-propyl-1,3-diazinane-2,4-dione?
The IUPAC name of 5-phenyl-3-propyl-1,3-diazinane-2,4-dione (CID 62884724) is 5-phenyl-3-propyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-phenyl-3-propyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-phenyl-3-propyl-1,3-diazinane-2,4-dione is CCCN1C(=O)NCC(c2ccccc2)C1=O.
What is the InChIKey of 5-phenyl-3-propyl-1,3-diazinane-2,4-dione?
The InChIKey is GJJOUWDDJQLFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-2-8-15-12(16)11(9-14-13(15)17)10-6-4-3-5-7-10/h3-7,11H,2,8-9H2,1H3,(H,14,17).
What are the key properties of 5-phenyl-3-propyl-1,3-diazinane-2,4-dione?
5-phenyl-3-propyl-1,3-diazinane-2,4-dione has a molecular weight of 232.28 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-propyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 62884724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).