1-methoxyethyl N,N-dimethylcarbamate

C6H13NO3 — CID 87292048

IUPAC1-methoxyethyl N,N-dimethylcarbamate
SMILESCOC(C)OC(=O)N(C)C
InChIInChI=1S/C6H13NO3/c1-5(9-4)10-6(8)7(2)3/h5H,1-4H3
InChIKeyZHPHQIJBRGMADJ-UHFFFAOYSA-N
MW147.17 g/mol
LogP0.68
Rot. Bonds2

About 1-methoxyethyl N,N-dimethylcarbamate

1-methoxyethyl N,N-dimethylcarbamate (PubChem CID 87292048) has the molecular formula C6H13NO3 and a molecular weight of 147.17 g/mol. Its IUPAC name is 1-methoxyethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name1-methoxyethyl N,N-dimethylcarbamate
PubChem CID87292048
Molecular FormulaC6H13NO3
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name1-methoxyethyl N,N-dimethylcarbamate
SMILESCOC(C)OC(=O)N(C)C
InChIInChI=1S/C6H13NO3/c1-5(9-4)10-6(8)7(2)3/h5H,1-4H3
InChIKeyZHPHQIJBRGMADJ-UHFFFAOYSA-N
XLogP0.68
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-methoxyethyl N,N-dimethylcarbamate?
The IUPAC name of 1-methoxyethyl N,N-dimethylcarbamate (CID 87292048) is 1-methoxyethyl N,N-dimethylcarbamate.
What is the SMILES notation for 1-methoxyethyl N,N-dimethylcarbamate?
The canonical SMILES for 1-methoxyethyl N,N-dimethylcarbamate is COC(C)OC(=O)N(C)C.
What is the InChIKey of 1-methoxyethyl N,N-dimethylcarbamate?
The InChIKey is ZHPHQIJBRGMADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO3/c1-5(9-4)10-6(8)7(2)3/h5H,1-4H3.
What are the key properties of 1-methoxyethyl N,N-dimethylcarbamate?
1-methoxyethyl N,N-dimethylcarbamate has a molecular weight of 147.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyethyl N,N-dimethylcarbamate is sourced from PubChem (CID 87292048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).