ethyl N-ethoxy-N-ethylcarbamate

C7H15NO3 — CID 54023757

IUPACethyl N-ethoxy-N-ethylcarbamate
SMILESCCOC(=O)N(CC)OCC
InChIInChI=1S/C7H15NO3/c1-4-8(11-6-3)7(9)10-5-2/h4-6H2,1-3H3
InChIKeyLASKJQAGPQMJMH-UHFFFAOYSA-N
MW161.20 g/mol
LogP1.42
Rot. Bonds4

About ethyl N-ethoxy-N-ethylcarbamate

ethyl N-ethoxy-N-ethylcarbamate (PubChem CID 54023757) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is ethyl N-ethoxy-N-ethylcarbamate.

Molecular Properties

Compound Nameethyl N-ethoxy-N-ethylcarbamate
PubChem CID54023757
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Nameethyl N-ethoxy-N-ethylcarbamate
SMILESCCOC(=O)N(CC)OCC
InChIInChI=1S/C7H15NO3/c1-4-8(11-6-3)7(9)10-5-2/h4-6H2,1-3H3
InChIKeyLASKJQAGPQMJMH-UHFFFAOYSA-N
XLogP1.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 51.42
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 ethyl N-ethoxy-N-ethylcarbamate?
The IUPAC name of ethyl N-ethoxy-N-ethylcarbamate (CID 54023757) is ethyl N-ethoxy-N-ethylcarbamate.
What is the SMILES notation for ethyl N-ethoxy-N-ethylcarbamate?
The canonical SMILES for ethyl N-ethoxy-N-ethylcarbamate is CCOC(=O)N(CC)OCC.
What is the InChIKey of ethyl N-ethoxy-N-ethylcarbamate?
The InChIKey is LASKJQAGPQMJMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-4-8(11-6-3)7(9)10-5-2/h4-6H2,1-3H3.
What are the key properties of ethyl N-ethoxy-N-ethylcarbamate?
ethyl N-ethoxy-N-ethylcarbamate has a molecular weight of 161.20 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethoxy-N-ethylcarbamate is sourced from PubChem (CID 54023757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).