tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate

C12H24N2O6 — CID 129175966

IUPACtert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCNC=O
InChIInChI=1S/C12H24N2O6/c1-12(2,3)20-11(16)14-19-9-8-18-7-6-17-5-4-13-10-15/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyXOOLFCWSTKEABU-UHFFFAOYSA-N
MW292.33 g/mol
LogP0.22
Rot. Bonds11

About tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate

tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate (PubChem CID 129175966) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate
PubChem CID129175966
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Nametert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate
SMILESCC(C)(C)OC(=O)NOCCOCCOCCNC=O
InChIInChI=1S/C12H24N2O6/c1-12(2,3)20-11(16)14-19-9-8-18-7-6-17-5-4-13-10-15/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16)
InChIKeyXOOLFCWSTKEABU-UHFFFAOYSA-N
XLogP0.22
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate (CID 129175966) is tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate is CC(C)(C)OC(=O)NOCCOCCOCCNC=O.
What is the InChIKey of tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate?
The InChIKey is XOOLFCWSTKEABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-12(2,3)20-11(16)14-19-9-8-18-7-6-17-5-4-13-10-15/h10H,4-9H2,1-3H3,(H,13,15)(H,14,16).
What are the key properties of tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate?
tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate has a molecular weight of 292.33 g/mol, XLogP of 0.22, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]carbamate is sourced from PubChem (CID 129175966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).