ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate

C8H16N2O6 — CID 86250669

IUPACethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
SMILESCCOC(=O)N(OC)N(OC)C(=O)OCC
InChIInChI=1S/C8H16N2O6/c1-5-15-7(11)9(13-3)10(14-4)8(12)16-6-2/h5-6H2,1-4H3
InChIKeyLIFCGFCDGRGNEE-UHFFFAOYSA-N
MW236.22 g/mol
LogP0.94
Rot. Bonds4

About ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate

ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate (PubChem CID 86250669) has the molecular formula C8H16N2O6 and a molecular weight of 236.22 g/mol. Its IUPAC name is ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate.

Molecular Properties

Compound Nameethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
PubChem CID86250669
Molecular FormulaC8H16N2O6
Molecular Weight236.22 g/mol
Exact Mass236.10
IUPAC Nameethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate
SMILESCCOC(=O)N(OC)N(OC)C(=O)OCC
InChIInChI=1S/C8H16N2O6/c1-5-15-7(11)9(13-3)10(14-4)8(12)16-6-2/h5-6H2,1-4H3
InChIKeyLIFCGFCDGRGNEE-UHFFFAOYSA-N
XLogP0.94
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.22
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl N,N-diaminocarbamate
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ethyl N-methoxy-N-(2-methoxyethyl)carbamate
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ethyl N-acetyl-N-ethoxycarbonylcarbamate
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methyl 2-[ethoxycarbonyl-(2-methoxy-2-oxoethyl)amino]acetate
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ethyl N-bromo-N-carbamoylcarbamate
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Frequently Asked Questions

What is the IUPAC name of ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate?
The IUPAC name of ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate (CID 86250669) is ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate.
What is the SMILES notation for ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate?
The canonical SMILES for ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate is CCOC(=O)N(OC)N(OC)C(=O)OCC.
What is the InChIKey of ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate?
The InChIKey is LIFCGFCDGRGNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O6/c1-5-15-7(11)9(13-3)10(14-4)8(12)16-6-2/h5-6H2,1-4H3.
What are the key properties of ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate?
ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate has a molecular weight of 236.22 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[ethoxycarbonyl(methoxy)amino]-N-methoxycarbamate is sourced from PubChem (CID 86250669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).