tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate

C11H23NO4 — CID 89240580

IUPACtert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate
SMILESCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-14-8-9-15-7-6-12-10(13)16-11(2,3)4/h5-9H2,1-4H3,(H,12,13)
InChIKeyGCZAHACRQXMZGS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.56
Rot. Bonds7

About tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate

tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate (PubChem CID 89240580) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate
PubChem CID89240580
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate
SMILESCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-5-14-8-9-15-7-6-12-10(13)16-11(2,3)4/h5-9H2,1-4H3,(H,12,13)
InChIKeyGCZAHACRQXMZGS-UHFFFAOYSA-N
XLogP1.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.56
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 tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate (CID 89240580) is tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate is CCOCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate?
The InChIKey is GCZAHACRQXMZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-5-14-8-9-15-7-6-12-10(13)16-11(2,3)4/h5-9H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate?
tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-ethoxyethoxy)ethyl]carbamate is sourced from PubChem (CID 89240580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).