N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide

C11H17N3O4 — CID 112599352

IUPACN-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C11H17N3O4/c1-6(2)8-9(16)13-11(18)14(10(8)17)5-4-12-7(3)15/h6,8H,4-5H2,1-3H3,(H,12,15)(H,13,16,18)
InChIKeyQXMUKMSQROUYKO-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.53
Rot. Bonds4

About N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide

N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide (PubChem CID 112599352) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide
PubChem CID112599352
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC NameN-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide
SMILESCC(=O)NCCN1C(=O)NC(=O)C(C(C)C)C1=O
InChIInChI=1S/C11H17N3O4/c1-6(2)8-9(16)13-11(18)14(10(8)17)5-4-12-7(3)15/h6,8H,4-5H2,1-3H3,(H,12,15)(H,13,16,18)
InChIKeyQXMUKMSQROUYKO-UHFFFAOYSA-N
XLogP-0.53
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.53
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 N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide?
The IUPAC name of N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide (CID 112599352) is N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide?
The canonical SMILES for N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide is CC(=O)NCCN1C(=O)NC(=O)C(C(C)C)C1=O.
What is the InChIKey of N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide?
The InChIKey is QXMUKMSQROUYKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-6(2)8-9(16)13-11(18)14(10(8)17)5-4-12-7(3)15/h6,8H,4-5H2,1-3H3,(H,12,15)(H,13,16,18).
What are the key properties of N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide?
N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide has a molecular weight of 255.27 g/mol, XLogP of -0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4,6-trioxo-5-propan-2-yl-1,3-diazinan-1-yl)ethyl]acetamide is sourced from PubChem (CID 112599352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).