5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione

C18H22N2O4 — CID 67915372

IUPAC5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC(C)N1C(=O)C(C(C)=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H22N2O4/c1-4-5-9-12(2)19-16(22)15(13(3)21)17(23)20(18(19)24)14-10-7-6-8-11-14/h6-8,10-12,15H,4-5,9H2,1-3H3
InChIKeyGREYVUBVZWORKW-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.77
Rot. Bonds6

About 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione

5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 67915372) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID67915372
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC(C)N1C(=O)C(C(C)=O)C(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C18H22N2O4/c1-4-5-9-12(2)19-16(22)15(13(3)21)17(23)20(18(19)24)14-10-7-6-8-11-14/h6-8,10-12,15H,4-5,9H2,1-3H3
InChIKeyGREYVUBVZWORKW-UHFFFAOYSA-N
XLogP2.77
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.77
H-Bond Donors ≤ 50
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 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione (CID 67915372) is 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione is CCCCC(C)N1C(=O)C(C(C)=O)C(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is GREYVUBVZWORKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-5-9-12(2)19-16(22)15(13(3)21)17(23)20(18(19)24)14-10-7-6-8-11-14/h6-8,10-12,15H,4-5,9H2,1-3H3.
What are the key properties of 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione?
5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 330.38 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-hexan-2-yl-3-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 67915372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).