1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione

C24H36N2O4 — CID 21131332

IUPAC1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCCCCCCCOCCN1C(=O)CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H36N2O4/c1-2-3-4-5-6-7-8-9-10-14-18-30-19-17-25-22(27)20-23(28)26(24(25)29)21-15-12-11-13-16-21/h11-13,15-16H,2-10,14,17-20H2,1H3
InChIKeyPAMLYGFUNSXKQW-UHFFFAOYSA-N
MW416.56 g/mol
LogP5.31
Rot. Bonds15

About 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione

1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 21131332) has the molecular formula C24H36N2O4 and a molecular weight of 416.56 g/mol. Its IUPAC name is 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID21131332
Molecular FormulaC24H36N2O4
Molecular Weight416.56 g/mol
Exact Mass416.27
IUPAC Name1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCCCCCCCCCCCOCCN1C(=O)CC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C24H36N2O4/c1-2-3-4-5-6-7-8-9-10-14-18-30-19-17-25-22(27)20-23(28)26(24(25)29)21-15-12-11-13-16-21/h11-13,15-16H,2-10,14,17-20H2,1H3
InChIKeyPAMLYGFUNSXKQW-UHFFFAOYSA-N
XLogP5.31
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.56
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione (CID 21131332) is 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione is CCCCCCCCCCCCOCCN1C(=O)CC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is PAMLYGFUNSXKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O4/c1-2-3-4-5-6-7-8-9-10-14-18-30-19-17-25-22(27)20-23(28)26(24(25)29)21-15-12-11-13-16-21/h11-13,15-16H,2-10,14,17-20H2,1H3.
What are the key properties of 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione?
1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 416.56 g/mol, XLogP of 5.31, 15 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-dodecoxyethyl)-3-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 21131332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).