tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate

C13H26N2O5 — CID 157037033

IUPACtert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
SMILESCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O5/c1-11(16)14-5-7-18-9-10-19-8-6-15-12(17)20-13(2,3)4/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyQUUWBERRBUYSRS-UHFFFAOYSA-N
MW290.36 g/mol
LogP0.68
Rot. Bonds9

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

tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate (PubChem CID 157037033) has the molecular formula C13H26N2O5 and a molecular weight of 290.36 g/mol. Its IUPAC name is tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
PubChem CID157037033
Molecular FormulaC13H26N2O5
Molecular Weight290.36 g/mol
Exact Mass290.18
IUPAC Nametert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate
SMILESCC(=O)NCCOCCOCCNC(=O)OC(C)(C)C
InChIInChI=1S/C13H26N2O5/c1-11(16)14-5-7-18-9-10-19-8-6-15-12(17)20-13(2,3)4/h5-10H2,1-4H3,(H,14,16)(H,15,17)
InChIKeyQUUWBERRBUYSRS-UHFFFAOYSA-N
XLogP0.68
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 154659295
tert-butyl N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]carbamate
CID 159460097
tert-butyl N-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 126480541
N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]acetamide
CID 18674787
2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 11660330
ethane;2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]acetic acid
CID 142814707
tert-butyl N-[2-[2-(2-ethoxyethoxy)ethoxy]ethyl]carbamate;molecular hydrogen
CID 177223683
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 51341057
3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 75534948
tert-butyl N-[2-[2-[2-[(2-bromoacetyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 11046862
tert-butyl N-[2-[2-[5-[2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]pentoxy]ethoxy]ethyl]carbamate
CID 177120478
tert-butyl N-[2-[2-[2-[2-(3-methoxypropoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 170538962

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate (CID 157037033) is tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate is CC(=O)NCCOCCOCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate?
The InChIKey is QUUWBERRBUYSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O5/c1-11(16)14-5-7-18-9-10-19-8-6-15-12(17)20-13(2,3)4/h5-10H2,1-4H3,(H,14,16)(H,15,17).
What are the key properties of tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate?
tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate has a molecular weight of 290.36 g/mol, XLogP of 0.68, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-(2-acetamidoethoxy)ethoxy]ethyl]carbamate is sourced from PubChem (CID 157037033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).