2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide

C11H17N3O5 — CID 106236681

IUPAC2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide
SMILESCCCC1C(=O)NC(=O)N(CCOCC(N)=O)C1=O
InChIInChI=1S/C11H17N3O5/c1-2-3-7-9(16)13-11(18)14(10(7)17)4-5-19-6-8(12)15/h7H,2-6H2,1H3,(H2,12,15)(H,13,16,18)
InChIKeyBOQFDGQZCZFMGI-UHFFFAOYSA-N
MW271.27 g/mol
LogP-1.02
Rot. Bonds7

About 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide

2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide (PubChem CID 106236681) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide
PubChem CID106236681
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide
SMILESCCCC1C(=O)NC(=O)N(CCOCC(N)=O)C1=O
InChIInChI=1S/C11H17N3O5/c1-2-3-7-9(16)13-11(18)14(10(7)17)4-5-19-6-8(12)15/h7H,2-6H2,1H3,(H2,12,15)(H,13,16,18)
InChIKeyBOQFDGQZCZFMGI-UHFFFAOYSA-N
XLogP-1.02
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide
CID 106236677
5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
CID 106236626
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-[(5-oxopyrrolidin-2-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 112601053
2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 71581754
1-(3-phenylpropyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946971
methyl 3-methyl-2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)butanoate
CID 115947465
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
CID 115947273
1-[(3-ethylthiophen-2-yl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115948876
1-[(3-methylphenyl)methyl]-5-propyl-1,3-diazinane-2,4,6-trione
CID 115946982
2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide
CID 106240255

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide (CID 106236681) is 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide is CCCC1C(=O)NC(=O)N(CCOCC(N)=O)C1=O.
What is the InChIKey of 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide?
The InChIKey is BOQFDGQZCZFMGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-2-3-7-9(16)13-11(18)14(10(7)17)4-5-19-6-8(12)15/h7H,2-6H2,1H3,(H2,12,15)(H,13,16,18).
What are the key properties of 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide?
2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide has a molecular weight of 271.27 g/mol, XLogP of -1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106236681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).