[3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate

C10H12N2O6 — CID 59364471

IUPAC[3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate
SMILESCONC(=O)Oc1cccc(OC(=O)NOC)c1
InChIInChI=1S/C10H12N2O6/c1-15-11-9(13)17-7-4-3-5-8(6-7)18-10(14)12-16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKeyHSEWANCIDBPRDQ-UHFFFAOYSA-N
MW256.21 g/mol
LogP0.99
Rot. Bonds4

About [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate

[3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate (PubChem CID 59364471) has the molecular formula C10H12N2O6 and a molecular weight of 256.21 g/mol. Its IUPAC name is [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate.

Molecular Properties

Compound Name[3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate
PubChem CID59364471
Molecular FormulaC10H12N2O6
Molecular Weight256.21 g/mol
Exact Mass256.07
IUPAC Name[3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate
SMILESCONC(=O)Oc1cccc(OC(=O)NOC)c1
InChIInChI=1S/C10H12N2O6/c1-15-11-9(13)17-7-4-3-5-8(6-7)18-10(14)12-16-2/h3-6H,1-2H3,(H,11,13)(H,12,14)
InChIKeyHSEWANCIDBPRDQ-UHFFFAOYSA-N
XLogP0.99
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.21
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate 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-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate?
The IUPAC name of [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate (CID 59364471) is [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate.
What is the SMILES notation for [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate?
The canonical SMILES for [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate is CONC(=O)Oc1cccc(OC(=O)NOC)c1.
What is the InChIKey of [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate?
The InChIKey is HSEWANCIDBPRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O6/c1-15-11-9(13)17-7-4-3-5-8(6-7)18-10(14)12-16-2/h3-6H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate?
[3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate has a molecular weight of 256.21 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(methoxycarbamoyloxy)phenyl] N-methoxycarbamate is sourced from PubChem (CID 59364471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).