N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide

C11H16N4O5 — CID 20716415

IUPACN-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide
SMILESCC(=O)NCCNC(=O)CC1(C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H16N4O5/c1-6(16)12-3-4-13-7(17)5-11(2)8(18)14-10(20)15-9(11)19/h3-5H2,1-2H3,(H,12,16)(H,13,17)(H2,14,15,18,19,20)
InChIKeyBKFPRSIKSDUCJA-UHFFFAOYSA-N
MW284.27 g/mol
LogP-2.00
Rot. Bonds5

About N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide

N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide (PubChem CID 20716415) has the molecular formula C11H16N4O5 and a molecular weight of 284.27 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide
PubChem CID20716415
Molecular FormulaC11H16N4O5
Molecular Weight284.27 g/mol
Exact Mass284.11
IUPAC NameN-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide
SMILESCC(=O)NCCNC(=O)CC1(C)C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H16N4O5/c1-6(16)12-3-4-13-7(17)5-11(2)8(18)14-10(20)15-9(11)19/h3-5H2,1-2H3,(H,12,16)(H,13,17)(H2,14,15,18,19,20)
InChIKeyBKFPRSIKSDUCJA-UHFFFAOYSA-N
XLogP-2.00
TPSA133.47 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 5-2.00
H-Bond Donors ≤ 54
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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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide (CID 20716415) is N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide is CC(=O)NCCNC(=O)CC1(C)C(=O)NC(=O)NC1=O.
What is the InChIKey of N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide?
The InChIKey is BKFPRSIKSDUCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O5/c1-6(16)12-3-4-13-7(17)5-11(2)8(18)14-10(20)15-9(11)19/h3-5H2,1-2H3,(H,12,16)(H,13,17)(H2,14,15,18,19,20).
What are the key properties of N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide?
N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide has a molecular weight of 284.27 g/mol, XLogP of -2.00, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-(5-methyl-2,4,6-trioxo-1,3-diazinan-5-yl)acetamide is sourced from PubChem (CID 20716415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).