5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione

C15H19N3O3 — CID 144553239

IUPAC5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CNCCc2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H19N3O3/c1-2-15(12(19)17-14(21)18-13(15)20)10-16-9-8-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3,(H2,17,18,19,20,21)
InChIKeyUWMCKFCZFPGUAC-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.58
Rot. Bonds6

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

5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 144553239) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID144553239
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione
SMILESCCC1(CNCCc2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C15H19N3O3/c1-2-15(12(19)17-14(21)18-13(15)20)10-16-9-8-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3,(H2,17,18,19,20,21)
InChIKeyUWMCKFCZFPGUAC-UHFFFAOYSA-N
XLogP0.58
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.58
H-Bond Donors ≤ 53
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 5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione (CID 144553239) is 5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione is CCC1(CNCCc2ccccc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is UWMCKFCZFPGUAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-2-15(12(19)17-14(21)18-13(15)20)10-16-9-8-11-6-4-3-5-7-11/h3-7,16H,2,8-10H2,1H3,(H2,17,18,19,20,21).
What are the key properties of 5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione?
5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 289.33 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 144553239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).