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

C17H23N3O3 — CID 2274195

IUPAC5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)c1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-5-20(6-2)13-9-7-12(8-10-13)11-14-15(21)18(3)17(23)19(4)16(14)22/h7-10,14H,5-6,11H2,1-4H3
InChIKeyVBNCQXWZJXPJHC-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.74
Rot. Bonds5

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

5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 2274195) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID2274195
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)c1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1
InChIInChI=1S/C17H23N3O3/c1-5-20(6-2)13-9-7-12(8-10-13)11-14-15(21)18(3)17(23)19(4)16(14)22/h7-10,14H,5-6,11H2,1-4H3
InChIKeyVBNCQXWZJXPJHC-UHFFFAOYSA-N
XLogP1.74
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 2274195) is 5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCN(CC)c1ccc(CC2C(=O)N(C)C(=O)N(C)C2=O)cc1.
What is the InChIKey of 5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VBNCQXWZJXPJHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-5-20(6-2)13-9-7-12(8-10-13)11-14-15(21)18(3)17(23)19(4)16(14)22/h7-10,14H,5-6,11H2,1-4H3.
What are the key properties of 5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 317.39 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(diethylamino)phenyl]methyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2274195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).