[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate

C13H24N2O6 — CID 58183309

IUPAC[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
SMILESCCC(=O)CCCOC(COC(=O)NC)COC(=O)NC
InChIInChI=1S/C13H24N2O6/c1-4-10(16)6-5-7-19-11(8-20-12(17)14-2)9-21-13(18)15-3/h11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyCBXCKDNSOHQUBH-UHFFFAOYSA-N
MW304.34 g/mol
LogP0.84
Rot. Bonds10

About [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate

[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate (PubChem CID 58183309) has the molecular formula C13H24N2O6 and a molecular weight of 304.34 g/mol. Its IUPAC name is [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
PubChem CID58183309
Molecular FormulaC13H24N2O6
Molecular Weight304.34 g/mol
Exact Mass304.16
IUPAC Name[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate
SMILESCCC(=O)CCCOC(COC(=O)NC)COC(=O)NC
InChIInChI=1S/C13H24N2O6/c1-4-10(16)6-5-7-19-11(8-20-12(17)14-2)9-21-13(18)15-3/h11H,4-9H2,1-3H3,(H,14,17)(H,15,18)
InChIKeyCBXCKDNSOHQUBH-UHFFFAOYSA-N
XLogP0.84
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.34
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] 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 [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate?
The IUPAC name of [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate (CID 58183309) is [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate.
What is the SMILES notation for [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate?
The canonical SMILES for [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate is CCC(=O)CCCOC(COC(=O)NC)COC(=O)NC.
What is the InChIKey of [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate?
The InChIKey is CBXCKDNSOHQUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O6/c1-4-10(16)6-5-7-19-11(8-20-12(17)14-2)9-21-13(18)15-3/h11H,4-9H2,1-3H3,(H,14,17)(H,15,18).
What are the key properties of [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate?
[3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate has a molecular weight of 304.34 g/mol, XLogP of 0.84, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methylcarbamoyloxy)-2-(4-oxohexoxy)propyl] N-methylcarbamate is sourced from PubChem (CID 58183309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).