tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate

C11H23NO4 — CID 86645499

IUPACtert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate
SMILESCOCCOC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-9(15-7-6-14-5)8-12-10(13)16-11(2,3)4/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyBSRLSVISCTTZEI-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.56
Rot. Bonds6

About tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate

tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate (PubChem CID 86645499) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate
PubChem CID86645499
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC Nametert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate
SMILESCOCCOC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H23NO4/c1-9(15-7-6-14-5)8-12-10(13)16-11(2,3)4/h9H,6-8H2,1-5H3,(H,12,13)
InChIKeyBSRLSVISCTTZEI-UHFFFAOYSA-N
XLogP1.56
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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-methoxyethoxy)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate (CID 86645499) is tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate is COCCOC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate?
The InChIKey is BSRLSVISCTTZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-9(15-7-6-14-5)8-12-10(13)16-11(2,3)4/h9H,6-8H2,1-5H3,(H,12,13).
What are the key properties of tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate?
tert-butyl N-[2-(2-methoxyethoxy)propyl]carbamate has a molecular weight of 233.31 g/mol, XLogP of 1.56, 6 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-methoxyethoxy)propyl]carbamate is sourced from PubChem (CID 86645499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).