N-ethoxy-N-ethylcarbamate

C5H10NO3- — CID 23617165

IUPACN-ethoxy-N-ethylcarbamate
SMILESCCON(CC)C(=O)[O-]
InChIInChI=1S/C5H11NO3/c1-3-6(5(7)8)9-4-2/h3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyHVGMLVNSYREWJR-UHFFFAOYSA-M
MW132.14 g/mol
LogP-0.40
Rot. Bonds3

About N-ethoxy-N-ethylcarbamate

N-ethoxy-N-ethylcarbamate (PubChem CID 23617165) has the molecular formula C5H10NO3- and a molecular weight of 132.14 g/mol. Its IUPAC name is N-ethoxy-N-ethylcarbamate.

Molecular Properties

Compound NameN-ethoxy-N-ethylcarbamate
PubChem CID23617165
Molecular FormulaC5H10NO3-
Molecular Weight132.14 g/mol
Exact Mass132.07
IUPAC NameN-ethoxy-N-ethylcarbamate
SMILESCCON(CC)C(=O)[O-]
InChIInChI=1S/C5H11NO3/c1-3-6(5(7)8)9-4-2/h3-4H2,1-2H3,(H,7,8)/p-1
InChIKeyHVGMLVNSYREWJR-UHFFFAOYSA-M
XLogP-0.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.14
LogP ≤ 5-0.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-N-ethylcarbamate?
The IUPAC name of N-ethoxy-N-ethylcarbamate (CID 23617165) is N-ethoxy-N-ethylcarbamate.
What is the SMILES notation for N-ethoxy-N-ethylcarbamate?
The canonical SMILES for N-ethoxy-N-ethylcarbamate is CCON(CC)C(=O)[O-].
What is the InChIKey of N-ethoxy-N-ethylcarbamate?
The InChIKey is HVGMLVNSYREWJR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO3/c1-3-6(5(7)8)9-4-2/h3-4H2,1-2H3,(H,7,8)/p-1.
What are the key properties of N-ethoxy-N-ethylcarbamate?
N-ethoxy-N-ethylcarbamate has a molecular weight of 132.14 g/mol, XLogP of -0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-N-ethylcarbamate is sourced from PubChem (CID 23617165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).