5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione

C20H28N4O3 — CID 7368037

IUPAC5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C20H28N4O3/c1-5-23(6-2)12-11-21-13-17-18(25)22-20(27)24(19(17)26)16-9-7-15(8-10-16)14(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3,(H,22,25,27)/b21-13+
InChIKeyGLOXPSWLXGNZRB-FYJGNVAPSA-N
MW372.47 g/mol
LogP2.42
Rot. Bonds8

About 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione

5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7368037) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
PubChem CID7368037
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O
InChIInChI=1S/C20H28N4O3/c1-5-23(6-2)12-11-21-13-17-18(25)22-20(27)24(19(17)26)16-9-7-15(8-10-16)14(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3,(H,22,25,27)/b21-13+
InChIKeyGLOXPSWLXGNZRB-FYJGNVAPSA-N
XLogP2.42
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-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 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione (CID 7368037) is 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione is CCN(CC)CC/N=C/C1C(=O)NC(=O)N(c2ccc(C(C)C)cc2)C1=O.
What is the InChIKey of 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is GLOXPSWLXGNZRB-FYJGNVAPSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-5-23(6-2)12-11-21-13-17-18(25)22-20(27)24(19(17)26)16-9-7-15(8-10-16)14(3)4/h7-10,13-14,17H,5-6,11-12H2,1-4H3,(H,22,25,27)/b21-13+.
What are the key properties of 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione?
5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 372.47 g/mol, XLogP of 2.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyliminomethyl]-1-(4-propan-2-ylphenyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7368037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).