2,3-dimethoxypropyl N-ethylcarbamate

C8H17NO4 — CID 58612429

IUPAC2,3-dimethoxypropyl N-ethylcarbamate
SMILESCCNC(=O)OCC(COC)OC
InChIInChI=1S/C8H17NO4/c1-4-9-8(10)13-6-7(12-3)5-11-2/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyHIRRXDOXUWBHQH-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.39
Rot. Bonds6

About 2,3-dimethoxypropyl N-ethylcarbamate

2,3-dimethoxypropyl N-ethylcarbamate (PubChem CID 58612429) has the molecular formula C8H17NO4 and a molecular weight of 191.23 g/mol. Its IUPAC name is 2,3-dimethoxypropyl N-ethylcarbamate.

Molecular Properties

Compound Name2,3-dimethoxypropyl N-ethylcarbamate
PubChem CID58612429
Molecular FormulaC8H17NO4
Molecular Weight191.23 g/mol
Exact Mass191.12
IUPAC Name2,3-dimethoxypropyl N-ethylcarbamate
SMILESCCNC(=O)OCC(COC)OC
InChIInChI=1S/C8H17NO4/c1-4-9-8(10)13-6-7(12-3)5-11-2/h7H,4-6H2,1-3H3,(H,9,10)
InChIKeyHIRRXDOXUWBHQH-UHFFFAOYSA-N
XLogP0.39
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxypropyl N-ethylcarbamate?
The IUPAC name of 2,3-dimethoxypropyl N-ethylcarbamate (CID 58612429) is 2,3-dimethoxypropyl N-ethylcarbamate.
What is the SMILES notation for 2,3-dimethoxypropyl N-ethylcarbamate?
The canonical SMILES for 2,3-dimethoxypropyl N-ethylcarbamate is CCNC(=O)OCC(COC)OC.
What is the InChIKey of 2,3-dimethoxypropyl N-ethylcarbamate?
The InChIKey is HIRRXDOXUWBHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO4/c1-4-9-8(10)13-6-7(12-3)5-11-2/h7H,4-6H2,1-3H3,(H,9,10).
What are the key properties of 2,3-dimethoxypropyl N-ethylcarbamate?
2,3-dimethoxypropyl N-ethylcarbamate has a molecular weight of 191.23 g/mol, XLogP of 0.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxypropyl N-ethylcarbamate is sourced from PubChem (CID 58612429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).