1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione

C15H20N2O4 — CID 115947632

IUPAC1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C(C)CCc2ccco2)C1=O
InChIInChI=1S/C15H20N2O4/c1-9(2)12-13(18)16-15(20)17(14(12)19)10(3)6-7-11-5-4-8-21-11/h4-5,8-10,12H,6-7H2,1-3H3,(H,16,18,20)
InChIKeyCZTGBIRZRLZLCY-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.95
Rot. Bonds5

About 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione

1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 115947632) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID115947632
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCC(C)C1C(=O)NC(=O)N(C(C)CCc2ccco2)C1=O
InChIInChI=1S/C15H20N2O4/c1-9(2)12-13(18)16-15(20)17(14(12)19)10(3)6-7-11-5-4-8-21-11/h4-5,8-10,12H,6-7H2,1-3H3,(H,16,18,20)
InChIKeyCZTGBIRZRLZLCY-UHFFFAOYSA-N
XLogP1.95
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione (CID 115947632) is 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is CC(C)C1C(=O)NC(=O)N(C(C)CCc2ccco2)C1=O.
What is the InChIKey of 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is CZTGBIRZRLZLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-9(2)12-13(18)16-15(20)17(14(12)19)10(3)6-7-11-5-4-8-21-11/h4-5,8-10,12H,6-7H2,1-3H3,(H,16,18,20).
What are the key properties of 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione?
1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 292.33 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(furan-2-yl)butan-2-yl]-5-propan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 115947632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).