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

C6H13NO4 — CID 20583451

IUPACmethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESCOC(=O)NCCOCCO
InChIInChI=1S/C6H13NO4/c1-10-6(9)7-2-4-11-5-3-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyPUPDGDLVOKXHJH-UHFFFAOYSA-N
MW163.17 g/mol
LogP-0.65
Rot. Bonds5

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

methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate (PubChem CID 20583451) has the molecular formula C6H13NO4 and a molecular weight of 163.17 g/mol. Its IUPAC name is methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Namemethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
PubChem CID20583451
Molecular FormulaC6H13NO4
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Namemethyl N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESCOC(=O)NCCOCCO
InChIInChI=1S/C6H13NO4/c1-10-6(9)7-2-4-11-5-3-8/h8H,2-5H2,1H3,(H,7,9)
InChIKeyPUPDGDLVOKXHJH-UHFFFAOYSA-N
XLogP-0.65
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
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-hydroxyethoxy)ethyl]carbamate?
The IUPAC name of methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate (CID 20583451) is methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate.
What is the SMILES notation for methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The canonical SMILES for methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate is COC(=O)NCCOCCO.
What is the InChIKey of methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The InChIKey is PUPDGDLVOKXHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO4/c1-10-6(9)7-2-4-11-5-3-8/h8H,2-5H2,1H3,(H,7,9).
What are the key properties of methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate?
methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate has a molecular weight of 163.17 g/mol, XLogP of -0.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-(2-hydroxyethoxy)ethyl]carbamate is sourced from PubChem (CID 20583451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).