ethyl N-ethoxy-N-methylcarbamate

C6H13NO3 — CID 14895675

IUPACethyl N-ethoxy-N-methylcarbamate
SMILESCCOC(=O)N(C)OCC
InChIInChI=1S/C6H13NO3/c1-4-9-6(8)7(3)10-5-2/h4-5H2,1-3H3
InChIKeyVJXNRWJRKPCHBX-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.03
Rot. Bonds3

About ethyl N-ethoxy-N-methylcarbamate

ethyl N-ethoxy-N-methylcarbamate (PubChem CID 14895675) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is ethyl N-ethoxy-N-methylcarbamate.

Molecular Properties

Compound Nameethyl N-ethoxy-N-methylcarbamate
PubChem CID14895675
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Nameethyl N-ethoxy-N-methylcarbamate
SMILESCCOC(=O)N(C)OCC
InChIInChI=1S/C6H13NO3/c1-4-9-6(8)7(3)10-5-2/h4-5H2,1-3H3
InChIKeyVJXNRWJRKPCHBX-UHFFFAOYSA-N
XLogP1.03
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.03
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-methylcarbamate?
The IUPAC name of ethyl N-ethoxy-N-methylcarbamate (CID 14895675) is ethyl N-ethoxy-N-methylcarbamate.
What is the SMILES notation for ethyl N-ethoxy-N-methylcarbamate?
The canonical SMILES for ethyl N-ethoxy-N-methylcarbamate is CCOC(=O)N(C)OCC.
What is the InChIKey of ethyl N-ethoxy-N-methylcarbamate?
The InChIKey is VJXNRWJRKPCHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-4-9-6(8)7(3)10-5-2/h4-5H2,1-3H3.
What are the key properties of ethyl N-ethoxy-N-methylcarbamate?
ethyl N-ethoxy-N-methylcarbamate has a molecular weight of 147.17 g/mol, XLogP of 1.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-ethoxy-N-methylcarbamate is sourced from PubChem (CID 14895675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).