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

C17H36N2O6 — CID 175415443

IUPACtert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESCCNCCOCCOCCN(CCOCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C17H36N2O6/c1-5-18-6-10-22-14-15-24-12-8-19(7-11-23-13-9-20)16(21)25-17(2,3)4/h18,20H,5-15H2,1-4H3
InChIKeyZUVNEGDXOPYKHJ-UHFFFAOYSA-N
MW364.48 g/mol
LogP0.88
Rot. Bonds15

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

tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate (PubChem CID 175415443) has the molecular formula C17H36N2O6 and a molecular weight of 364.48 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
PubChem CID175415443
Molecular FormulaC17H36N2O6
Molecular Weight364.48 g/mol
Exact Mass364.26
IUPAC Nametert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
SMILESCCNCCOCCOCCN(CCOCCO)C(=O)OC(C)(C)C
InChIInChI=1S/C17H36N2O6/c1-5-18-6-10-22-14-15-24-12-8-19(7-11-23-13-9-20)16(21)25-17(2,3)4/h18,20H,5-15H2,1-4H3
InChIKeyZUVNEGDXOPYKHJ-UHFFFAOYSA-N
XLogP0.88
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylamino]ethyl]-N-methylcarbamate
CID 172868636
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 134433312
tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
CID 162489603
tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;tert-butyl 3-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonyl-[2-(2-oxoethoxy)ethyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 165005484
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol
CID 158283249
tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121383579
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
tert-butyl N-(2-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl 3-[2-[2-(2-hydroxyethoxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]propanoate;tert-butyl 3-[5-(2-hydroxyethoxy)pentoxy]propanoate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 165098643
3-[(2-methylpropan-2-yl)oxycarbonyl-[2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethoxy]ethyl]amino]propylphosphonic acid
CID 59081479
tert-butyl N-[2-(ethylamino)ethyl]-N-(2-hydroxypropyl)carbamate
CID 107257153
tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 18933288

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate (CID 175415443) is tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate is CCNCCOCCOCCN(CCOCCO)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate?
The InChIKey is ZUVNEGDXOPYKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O6/c1-5-18-6-10-22-14-15-24-12-8-19(7-11-23-13-9-20)16(21)25-17(2,3)4/h18,20H,5-15H2,1-4H3.
What are the key properties of tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate?
tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate has a molecular weight of 364.48 g/mol, XLogP of 0.88, 15 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate is sourced from PubChem (CID 175415443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).