tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol

C15H34N2O6 — CID 158283249

IUPACtert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol
SMILESCN(CCOCCO)C(=O)OC(C)(C)C.CNCCOCCO
InChIInChI=1S/C10H21NO4.C5H13NO2/c1-10(2,3)15-9(13)11(4)5-7-14-8-6-12;1-6-2-4-8-5-3-7/h12H,5-8H2,1-4H3;6-7H,2-5H2,1H3
InChIKeyGKLOXSMEBCEGJQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP0.08
Rot. Bonds10

About tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol

tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol (PubChem CID 158283249) has the molecular formula C15H34N2O6 and a molecular weight of 338.45 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol
PubChem CID158283249
Molecular FormulaC15H34N2O6
Molecular Weight338.45 g/mol
Exact Mass338.24
IUPAC Nametert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol
SMILESCN(CCOCCO)C(=O)OC(C)(C)C.CNCCOCCO
InChIInChI=1S/C10H21NO4.C5H13NO2/c1-10(2,3)15-9(13)11(4)5-7-14-8-6-12;1-6-2-4-8-5-3-7/h12H,5-8H2,1-4H3;6-7H,2-5H2,1H3
InChIKeyGKLOXSMEBCEGJQ-UHFFFAOYSA-N
XLogP0.08
TPSA100.49 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 50.08
H-Bond Donors ≤ 53
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-hydroxyethoxy)ethoxy]ethyl]-N-methylcarbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;2-[2-(2-chloroethoxy)ethoxy]ethanol;2-[2-[2-(methylamino)ethoxy]ethoxy]ethanol
CID 160941269
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-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 178173815
3-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]propanoic acid
CID 170906120
2-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
CID 139578947
tert-butyl N-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 175415443
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-aminooxyethyl)-N-methylcarbamate
CID 23398498
methyl 3-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoate;3-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 162097904
tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121383579
tert-butyl N-methyl-N-[2-[2-[2-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethoxy]ethyl-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethylsulfamoyl]amino]ethoxy]ethyl]carbamate
CID 176737557
tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol?
The IUPAC name of tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol (CID 158283249) is tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol?
The canonical SMILES for tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol is CN(CCOCCO)C(=O)OC(C)(C)C.CNCCOCCO.
What is the InChIKey of tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol?
The InChIKey is GKLOXSMEBCEGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4.C5H13NO2/c1-10(2,3)15-9(13)11(4)5-7-14-8-6-12;1-6-2-4-8-5-3-7/h12H,5-8H2,1-4H3;6-7H,2-5H2,1H3.
What are the key properties of tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol?
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol has a molecular weight of 338.45 g/mol, XLogP of 0.08, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol is sourced from PubChem (CID 158283249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).