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

C9H13N3O5 — CID 106236677

IUPAC2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide
SMILESCC1C(=O)NC(=O)N(CCOCC(N)=O)C1=O
InChIInChI=1S/C9H13N3O5/c1-5-7(14)11-9(16)12(8(5)15)2-3-17-4-6(10)13/h5H,2-4H2,1H3,(H2,10,13)(H,11,14,16)
InChIKeyOEQPNXJDZNVLRV-UHFFFAOYSA-N
MW243.22 g/mol
LogP-1.80
Rot. Bonds5

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

2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide (PubChem CID 106236677) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide.

Molecular Properties

Compound Name2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide
PubChem CID106236677
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide
SMILESCC1C(=O)NC(=O)N(CCOCC(N)=O)C1=O
InChIInChI=1S/C9H13N3O5/c1-5-7(14)11-9(16)12(8(5)15)2-3-17-4-6(10)13/h5H,2-4H2,1H3,(H2,10,13)(H,11,14,16)
InChIKeyOEQPNXJDZNVLRV-UHFFFAOYSA-N
XLogP-1.80
TPSA118.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.80
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-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethoxy]acetamide
CID 106236681
2-[2-[2-[2-[2-(2,5-dioxo-3-sulfanylpyrrolidin-1-yl)ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 71581754
5-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)pentanamide
CID 106236626
5-methyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 67961738
5-cyclopentyl-1-[2-(2-methoxyethoxy)ethyl]-1,3-diazinane-2,4,6-trione
CID 115947273
1-but-2-ynyl-5-methyl-1,3-diazinane-2,4,6-trione
CID 130167440
4-(5-cyclopentyl-2,4,6-trioxo-1,3-diazinan-1-yl)butanamide
CID 115946962
2-[2-(3-bromo-2-oxopiperidin-1-yl)ethoxy]acetamide
CID 106240255
2-[2-[2-[2-[2-[2-(2-amino-2-oxoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]acetamide
CID 175962657
2-[2-(4-methylpiperazin-1-yl)ethoxy]acetamide
CID 142386012
2-(2,4,6-trioxo-5-propyl-1,3-diazinan-1-yl)ethylurea
CID 112601615
2-tridecoxyacetamide
CID 54483018

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide?
The IUPAC name of 2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide (CID 106236677) is 2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide.
What is the SMILES notation for 2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide?
The canonical SMILES for 2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide is CC1C(=O)NC(=O)N(CCOCC(N)=O)C1=O.
What is the InChIKey of 2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide?
The InChIKey is OEQPNXJDZNVLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-5-7(14)11-9(16)12(8(5)15)2-3-17-4-6(10)13/h5H,2-4H2,1H3,(H2,10,13)(H,11,14,16).
What are the key properties of 2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide?
2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide has a molecular weight of 243.22 g/mol, XLogP of -1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-2,4,6-trioxo-1,3-diazinan-1-yl)ethoxy]acetamide is sourced from PubChem (CID 106236677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).