2-methoxyethyl N,N-dimethylcarbamate

C6H13NO3 — CID 3084950

IUPAC2-methoxyethyl N,N-dimethylcarbamate
SMILESCOCCOC(=O)N(C)C
InChIInChI=1S/C6H13NO3/c1-7(2)6(8)10-5-4-9-3/h4-5H2,1-3H3
InChIKeyGWQGUEQQIYWBKL-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.33
Rot. Bonds3

About 2-methoxyethyl N,N-dimethylcarbamate

2-methoxyethyl N,N-dimethylcarbamate (PubChem CID 3084950) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 2-methoxyethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-methoxyethyl N,N-dimethylcarbamate
PubChem CID3084950
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name2-methoxyethyl N,N-dimethylcarbamate
SMILESCOCCOC(=O)N(C)C
InChIInChI=1S/C6H13NO3/c1-7(2)6(8)10-5-4-9-3/h4-5H2,1-3H3
InChIKeyGWQGUEQQIYWBKL-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N,N-dimethylcarbamate?
The IUPAC name of 2-methoxyethyl N,N-dimethylcarbamate (CID 3084950) is 2-methoxyethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-methoxyethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-methoxyethyl N,N-dimethylcarbamate is COCCOC(=O)N(C)C.
What is the InChIKey of 2-methoxyethyl N,N-dimethylcarbamate?
The InChIKey is GWQGUEQQIYWBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-7(2)6(8)10-5-4-9-3/h4-5H2,1-3H3.
What are the key properties of 2-methoxyethyl N,N-dimethylcarbamate?
2-methoxyethyl N,N-dimethylcarbamate has a molecular weight of 147.17 g/mol, XLogP of 0.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N,N-dimethylcarbamate is sourced from PubChem (CID 3084950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).