ethylcarbamoyloxymethyl N-ethylcarbamate

C7H14N2O4 — CID 20609207

IUPACethylcarbamoyloxymethyl N-ethylcarbamate
SMILESCCNC(=O)OCOC(=O)NCC
InChIInChI=1S/C7H14N2O4/c1-3-8-6(10)12-5-13-7(11)9-4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyNKELZGLUKQJIED-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.44
Rot. Bonds4

About ethylcarbamoyloxymethyl N-ethylcarbamate

ethylcarbamoyloxymethyl N-ethylcarbamate (PubChem CID 20609207) has the molecular formula C7H14N2O4 and a molecular weight of 190.20 g/mol. Its IUPAC name is ethylcarbamoyloxymethyl N-ethylcarbamate.

Molecular Properties

Compound Nameethylcarbamoyloxymethyl N-ethylcarbamate
PubChem CID20609207
Molecular FormulaC7H14N2O4
Molecular Weight190.20 g/mol
Exact Mass190.10
IUPAC Nameethylcarbamoyloxymethyl N-ethylcarbamate
SMILESCCNC(=O)OCOC(=O)NCC
InChIInChI=1S/C7H14N2O4/c1-3-8-6(10)12-5-13-7(11)9-4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11)
InChIKeyNKELZGLUKQJIED-UHFFFAOYSA-N
XLogP0.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylcarbamoyloxymethyl N-ethylcarbamate?
The IUPAC name of ethylcarbamoyloxymethyl N-ethylcarbamate (CID 20609207) is ethylcarbamoyloxymethyl N-ethylcarbamate.
What is the SMILES notation for ethylcarbamoyloxymethyl N-ethylcarbamate?
The canonical SMILES for ethylcarbamoyloxymethyl N-ethylcarbamate is CCNC(=O)OCOC(=O)NCC.
What is the InChIKey of ethylcarbamoyloxymethyl N-ethylcarbamate?
The InChIKey is NKELZGLUKQJIED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O4/c1-3-8-6(10)12-5-13-7(11)9-4-2/h3-5H2,1-2H3,(H,8,10)(H,9,11).
What are the key properties of ethylcarbamoyloxymethyl N-ethylcarbamate?
ethylcarbamoyloxymethyl N-ethylcarbamate has a molecular weight of 190.20 g/mol, XLogP of 0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethylcarbamoyloxymethyl N-ethylcarbamate is sourced from PubChem (CID 20609207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).