5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide

C12H19N3O4 — CID 106236626

IUPAC5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
SMILESCCCC1C(=O)NC(=O)N(CCCCC(N)=O)C1=O
InChIInChI=1S/C12H19N3O4/c1-2-5-8-10(17)14-12(19)15(11(8)18)7-4-3-6-9(13)16/h8H,2-7H2,1H3,(H2,13,16)(H,14,17,19)
InChIKeyDCJFUINLYQTKAW-UHFFFAOYSA-N
MW269.30 g/mol
LogP0.14
Rot. Bonds7

About 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide

5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide (PubChem CID 106236626) has the molecular formula C12H19N3O4 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide.

Molecular Properties

Compound Name5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
PubChem CID106236626
Molecular FormulaC12H19N3O4
Molecular Weight269.30 g/mol
Exact Mass269.14
IUPAC Name5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
SMILESCCCC1C(=O)NC(=O)N(CCCCC(N)=O)C1=O
InChIInChI=1S/C12H19N3O4/c1-2-5-8-10(17)14-12(19)15(11(8)18)7-4-3-6-9(13)16/h8H,2-7H2,1H3,(H2,13,16)(H,14,17,19)
InChIKeyDCJFUINLYQTKAW-UHFFFAOYSA-N
XLogP0.14
TPSA109.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 50.14
H-Bond Donors ≤ 52
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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Related Compounds

2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide
CID 106236681
2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethylurea
CID 112601615
N-cyclopropyl-4-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanamide
CID 115948700
1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946971
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962
1-[(5-oxopyrrolidin-2-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 112601053
5-benzyl-1-propyl-1,3-diazinane-2,4,6-trione
CID 91699920
1-[(3-ethylthiophen-2-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948876
methyl 3-methyl-2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanoate
CID 115947465
2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide
CID 106236677
1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946982
1-(1,2-dimethylpiperidin-4-yl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948943

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide?
The IUPAC name of 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide (CID 106236626) is 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide.
What is the SMILES notation for 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide?
The canonical SMILES for 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide is CCCC1C(=O)NC(=O)N(CCCCC(N)=O)C1=O.
What is the InChIKey of 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide?
The InChIKey is DCJFUINLYQTKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O4/c1-2-5-8-10(17)14-12(19)15(11(8)18)7-4-3-6-9(13)16/h8H,2-7H2,1H3,(H2,13,16)(H,14,17,19).
What are the key properties of 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide?
5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide has a molecular weight of 269.30 g/mol, XLogP of 0.14, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide is sourced from PubChem (CID 106236626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).