2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate

C8H14N2O6 — CID 22836032

IUPAC2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate
SMILESCOCCOC(=O)/N=N/C(=O)OCCOC
InChIInChI=1S/C8H14N2O6/c1-13-3-5-15-7(11)9-10-8(12)16-6-4-14-2/h3-6H2,1-2H3/b10-9+
InChIKeyPGHKJMVOHWKSLJ-MDZDMXLPSA-N
MW234.21 g/mol
LogP1.00
Rot. Bonds6

About 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate

2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate (PubChem CID 22836032) has the molecular formula C8H14N2O6 and a molecular weight of 234.21 g/mol. Its IUPAC name is 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate.

Molecular Properties

Compound Name2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate
PubChem CID22836032
Molecular FormulaC8H14N2O6
Molecular Weight234.21 g/mol
Exact Mass234.09
IUPAC Name2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate
SMILESCOCCOC(=O)/N=N/C(=O)OCCOC
InChIInChI=1S/C8H14N2O6/c1-13-3-5-15-7(11)9-10-8(12)16-6-4-14-2/h3-6H2,1-2H3/b10-9+
InChIKeyPGHKJMVOHWKSLJ-MDZDMXLPSA-N
XLogP1.00
TPSA95.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate?
The IUPAC name of 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate (CID 22836032) is 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate.
What is the SMILES notation for 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate?
The canonical SMILES for 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate is COCCOC(=O)/N=N/C(=O)OCCOC.
What is the InChIKey of 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate?
The InChIKey is PGHKJMVOHWKSLJ-MDZDMXLPSA-N. The full InChI is InChI=1S/C8H14N2O6/c1-13-3-5-15-7(11)9-10-8(12)16-6-4-14-2/h3-6H2,1-2H3/b10-9+.
What are the key properties of 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate?
2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate has a molecular weight of 234.21 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl (NE)-N-(2-methoxyethoxycarbonylimino)carbamate is sourced from PubChem (CID 22836032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).