1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione

C17H14N2O4 — CID 141055263

IUPAC1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)C(c2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C17H14N2O4/c1-19-16(21)14(15(20)18-17(19)22)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10,14H,1H3,(H,18,20,22)
InChIKeyBGTJKFOYKPTHIP-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.27
Rot. Bonds3

About 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione

1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 141055263) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID141055263
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)NC(=O)C(c2ccc(Oc3ccccc3)cc2)C1=O
InChIInChI=1S/C17H14N2O4/c1-19-16(21)14(15(20)18-17(19)22)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10,14H,1H3,(H,18,20,22)
InChIKeyBGTJKFOYKPTHIP-UHFFFAOYSA-N
XLogP2.27
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.27
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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Related Compounds

(5R)-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
CID 817582
1-methyl-5-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 112598766
(5Z)-1-methyl-5-[(4-phenoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5350951
1-methyl-4-(4-phenoxyphenyl)imidazolidin-2-one
CID 116980839
(5R)-5-benzoyl-1-methyl-1,3-diazinane-2,4,6-trione
CID 124528060
1-methyl-5-(2-phenylethyl)-1,3-diazinane-2,4,6-trione
CID 67491873
1-methyl-5-(2-phenylacetyl)-1,3-diazinane-2,4,6-trione
CID 102461648
(5S)-1-[3-(4-chlorophenoxy)phenyl]-5-phenylimidazolidine-2,4-dione
CID 69095941
2-methyl-4-(4-phenoxyphenyl)-4,6,7,8-tetrahydro-1H-quinolin-5-one
CID 141343816
5-(4-fluorophenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 122367157
1-[2-(dimethylamino)ethyl]-5-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
CID 115946042
3-amino-5-methyl-5-(4-phenoxyphenyl)-1,3-oxazolidine-2,4-dione
CID 151405336

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione (CID 141055263) is 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione is CN1C(=O)NC(=O)C(c2ccc(Oc3ccccc3)cc2)C1=O.
What is the InChIKey of 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is BGTJKFOYKPTHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-19-16(21)14(15(20)18-17(19)22)11-7-9-13(10-8-11)23-12-5-3-2-4-6-12/h2-10,14H,1H3,(H,18,20,22).
What are the key properties of 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione?
1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 310.31 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(4-phenoxyphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 141055263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).