1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione

C19H26N2O3 — CID 68637037

IUPAC1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCC(C)(C)c1ccc(CN2C(=O)CC(=O)N(C(C)(C)C)C2=O)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)14-9-7-13(8-10-14)12-20-15(22)11-16(23)21(17(20)24)19(4,5)6/h7-10H,11-12H2,1-6H3
InChIKeyCPLLRPVADNKIME-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.46
Rot. Bonds2

About 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione

1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 68637037) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID68637037
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCC(C)(C)c1ccc(CN2C(=O)CC(=O)N(C(C)(C)C)C2=O)cc1
InChIInChI=1S/C19H26N2O3/c1-18(2,3)14-9-7-13(8-10-14)12-20-15(22)11-16(23)21(17(20)24)19(4,5)6/h7-10H,11-12H2,1-6H3
InChIKeyCPLLRPVADNKIME-UHFFFAOYSA-N
XLogP3.46
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione (CID 68637037) is 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione is CC(C)(C)c1ccc(CN2C(=O)CC(=O)N(C(C)(C)C)C2=O)cc1.
What is the InChIKey of 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is CPLLRPVADNKIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O3/c1-18(2,3)14-9-7-13(8-10-14)12-20-15(22)11-16(23)21(17(20)24)19(4,5)6/h7-10H,11-12H2,1-6H3.
What are the key properties of 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione?
1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 330.43 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(4-tert-butylphenyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 68637037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).