methyl N-[2-(2-methoxyethoxy)ethyl]carbamate

C7H15NO4 — CID 14496182

IUPACmethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
SMILESCOCCOCCNC(=O)OC
InChIInChI=1S/C7H15NO4/c1-10-5-6-12-4-3-8-7(9)11-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyFATJOABCEDJDPD-UHFFFAOYSA-N
MW177.20 g/mol
LogP0.01
Rot. Bonds6

About methyl N-[2-(2-methoxyethoxy)ethyl]carbamate

methyl N-[2-(2-methoxyethoxy)ethyl]carbamate (PubChem CID 14496182) has the molecular formula C7H15NO4 and a molecular weight of 177.20 g/mol. Its IUPAC name is methyl N-[2-(2-methoxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
PubChem CID14496182
Molecular FormulaC7H15NO4
Molecular Weight177.20 g/mol
Exact Mass177.10
IUPAC Namemethyl N-[2-(2-methoxyethoxy)ethyl]carbamate
SMILESCOCCOCCNC(=O)OC
InChIInChI=1S/C7H15NO4/c1-10-5-6-12-4-3-8-7(9)11-2/h3-6H2,1-2H3,(H,8,9)
InChIKeyFATJOABCEDJDPD-UHFFFAOYSA-N
XLogP0.01
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 methyl N-[2-(2-methoxyethoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2-methoxyethoxy)ethyl]carbamate (CID 14496182) is methyl N-[2-(2-methoxyethoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-methoxyethoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2-methoxyethoxy)ethyl]carbamate is COCCOCCNC(=O)OC.
What is the InChIKey of methyl N-[2-(2-methoxyethoxy)ethyl]carbamate?
The InChIKey is FATJOABCEDJDPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO4/c1-10-5-6-12-4-3-8-7(9)11-2/h3-6H2,1-2H3,(H,8,9).
What are the key properties of methyl N-[2-(2-methoxyethoxy)ethyl]carbamate?
methyl N-[2-(2-methoxyethoxy)ethyl]carbamate has a molecular weight of 177.20 g/mol, XLogP of 0.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-methoxyethoxy)ethyl]carbamate is sourced from PubChem (CID 14496182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).