2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate

C15H24N6O9 — CID 59245413

IUPAC2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCn1c(=O)n(CCOC(=O)NC)c(=O)n(CCOC(=O)NC)c1=O
InChIInChI=1S/C15H24N6O9/c1-16-10(22)28-7-4-19-13(25)20(5-8-29-11(23)17-2)15(27)21(14(19)26)6-9-30-12(24)18-3/h4-9H2,1-3H3,(H,16,22)(H,17,23)(H,18,24)
InChIKeyIEQVQIIAISLROF-UHFFFAOYSA-N
MW432.39 g/mol
LogP-2.76
Rot. Bonds9

About 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate

2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate (PubChem CID 59245413) has the molecular formula C15H24N6O9 and a molecular weight of 432.39 g/mol. Its IUPAC name is 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate.

Molecular Properties

Compound Name2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate
PubChem CID59245413
Molecular FormulaC15H24N6O9
Molecular Weight432.39 g/mol
Exact Mass432.16
IUPAC Name2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate
SMILESCNC(=O)OCCn1c(=O)n(CCOC(=O)NC)c(=O)n(CCOC(=O)NC)c1=O
InChIInChI=1S/C15H24N6O9/c1-16-10(22)28-7-4-19-13(25)20(5-8-29-11(23)17-2)15(27)21(14(19)26)6-9-30-12(24)18-3/h4-9H2,1-3H3,(H,16,22)(H,17,23)(H,18,24)
InChIKeyIEQVQIIAISLROF-UHFFFAOYSA-N
XLogP-2.76
TPSA180.99 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.39
LogP ≤ 5-2.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate?
The IUPAC name of 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate (CID 59245413) is 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate.
What is the SMILES notation for 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate?
The canonical SMILES for 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate is CNC(=O)OCCn1c(=O)n(CCOC(=O)NC)c(=O)n(CCOC(=O)NC)c1=O.
What is the InChIKey of 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate?
The InChIKey is IEQVQIIAISLROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O9/c1-16-10(22)28-7-4-19-13(25)20(5-8-29-11(23)17-2)15(27)21(14(19)26)6-9-30-12(24)18-3/h4-9H2,1-3H3,(H,16,22)(H,17,23)(H,18,24).
What are the key properties of 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate?
2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate has a molecular weight of 432.39 g/mol, XLogP of -2.76, 9 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate is sourced from PubChem (CID 59245413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).