5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

C18H18N2O4 — CID 70920652

IUPAC5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCOCN1C(=O)NC(=O)C(C2=CC=CCC2)(c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O4/c1-24-12-20-16(22)18(15(21)19-17(20)23,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-6,8-10H,7,11-12H2,1H3,(H,19,21,23)
InChIKeyUMRXYVQNWVYTQY-UHFFFAOYSA-N
MW326.35 g/mol
LogP1.88
Rot. Bonds4

About 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione

5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 70920652) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID70920652
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCOCN1C(=O)NC(=O)C(C2=CC=CCC2)(c2ccccc2)C1=O
InChIInChI=1S/C18H18N2O4/c1-24-12-20-16(22)18(15(21)19-17(20)23,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-6,8-10H,7,11-12H2,1H3,(H,19,21,23)
InChIKeyUMRXYVQNWVYTQY-UHFFFAOYSA-N
XLogP1.88
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 51.88
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 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione (CID 70920652) is 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione is COCN1C(=O)NC(=O)C(C2=CC=CCC2)(c2ccccc2)C1=O.
What is the InChIKey of 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is UMRXYVQNWVYTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-24-12-20-16(22)18(15(21)19-17(20)23,13-8-4-2-5-9-13)14-10-6-3-7-11-14/h2-6,8-10H,7,11-12H2,1H3,(H,19,21,23).
What are the key properties of 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione?
5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 326.35 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexa-1,3-dien-1-yl-1-(methoxymethyl)-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 70920652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).