5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C15H18N2O4 — CID 2296042

IUPAC5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-4-21-11-7-5-10(6-8-11)9-12-13(18)16(2)15(20)17(3)14(12)19/h5-8,12H,4,9H2,1-3H3
InChIKeyOZMGRZQAHWQRRQ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.29
Rot. Bonds4

About 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 2296042) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID2296042
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C15H18N2O4/c1-4-21-11-7-5-10(6-8-11)9-12-13(18)16(2)15(20)17(3)14(12)19/h5-8,12H,4,9H2,1-3H3
InChIKeyOZMGRZQAHWQRRQ-UHFFFAOYSA-N
XLogP1.29
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.29
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-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 2296042) is 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCOc1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is OZMGRZQAHWQRRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-4-21-11-7-5-10(6-8-11)9-12-13(18)16(2)15(20)17(3)14(12)19/h5-8,12H,4,9H2,1-3H3.
What are the key properties of 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 290.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-ethoxyphenyl)methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2296042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).