2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide

C14H21N3O4 — CID 115947718

IUPAC2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-3-15-11(18)8(2)17-13(20)10(9-6-4-5-7-9)12(19)16-14(17)21/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,19,21)
InChIKeyQGIJYGLNBRTGCA-UHFFFAOYSA-N
MW295.34 g/mol
LogP0.40
Rot. Bonds4

About 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide

2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide (PubChem CID 115947718) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide.

Molecular Properties

Compound Name2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide
PubChem CID115947718
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide
SMILESCCNC(=O)C(C)N1C(=O)NC(=O)C(C2CCCC2)C1=O
InChIInChI=1S/C14H21N3O4/c1-3-15-11(18)8(2)17-13(20)10(9-6-4-5-7-9)12(19)16-14(17)21/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,19,21)
InChIKeyQGIJYGLNBRTGCA-UHFFFAOYSA-N
XLogP0.40
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide?
The IUPAC name of 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide (CID 115947718) is 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide.
What is the SMILES notation for 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide?
The canonical SMILES for 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide is CCNC(=O)C(C)N1C(=O)NC(=O)C(C2CCCC2)C1=O.
What is the InChIKey of 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide?
The InChIKey is QGIJYGLNBRTGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-15-11(18)8(2)17-13(20)10(9-6-4-5-7-9)12(19)16-14(17)21/h8-10H,3-7H2,1-2H3,(H,15,18)(H,16,19,21).
What are the key properties of 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide?
2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide has a molecular weight of 295.34 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)-N-ethylpropanamide is sourced from PubChem (CID 115947718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).