tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate

C13H23F3N2O5 — CID 134433312

IUPACtert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCOCCO
InChIInChI=1S/C13H23F3N2O5/c1-12(2,3)23-11(21)18(6-8-22-9-7-19)5-4-17-10(20)13(14,15)16/h19H,4-9H2,1-3H3,(H,17,20)
InChIKeyWHHFFGJDKSUJEI-UHFFFAOYSA-N
MW344.33 g/mol
LogP0.91
Rot. Bonds8

About tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate

tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (PubChem CID 134433312) has the molecular formula C13H23F3N2O5 and a molecular weight of 344.33 g/mol. Its IUPAC name is tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
PubChem CID134433312
Molecular FormulaC13H23F3N2O5
Molecular Weight344.33 g/mol
Exact Mass344.16
IUPAC Nametert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
SMILESCC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCOCCO
InChIInChI=1S/C13H23F3N2O5/c1-12(2,3)23-11(21)18(6-8-22-9-7-19)5-4-17-10(20)13(14,15)16/h19H,4-9H2,1-3H3,(H,17,20)
InChIKeyWHHFFGJDKSUJEI-UHFFFAOYSA-N
XLogP0.91
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 50.91
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-(ethylamino)ethoxy]ethoxy]ethyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 175415443
2,2,2-trifluoro-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 86639757
tert-butyl N-[2-(2-azidoethoxy)ethyl]-N-[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]carbamate
CID 162489603
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
tert-butyl N,N-bis[2-[(2-chloroacetyl)amino]ethyl]carbamate
CID 118895154
tert-butyl N-[(4-fluorophenyl)methyl]-N-[2-(2-hydroxyethoxy)ethyl]carbamate
CID 18933288
tert-butyl N-[(3-chlorophenyl)methyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate
CID 139930735
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol
CID 158283249
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-hydroxyethyl)-N-[2-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethyl]carbamate
CID 554102
tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]butyl carbonate
CID 152610717
tert-butyl N-[3-(2-hydroxyethoxy)propyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121383579

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate (CID 134433312) is tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is CC(C)(C)OC(=O)N(CCNC(=O)C(F)(F)F)CCOCCO.
What is the InChIKey of tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
The InChIKey is WHHFFGJDKSUJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O5/c1-12(2,3)23-11(21)18(6-8-22-9-7-19)5-4-17-10(20)13(14,15)16/h19H,4-9H2,1-3H3,(H,17,20).
What are the key properties of tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate?
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate has a molecular weight of 344.33 g/mol, XLogP of 0.91, 8 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-hydroxyethoxy)ethyl]-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]carbamate is sourced from PubChem (CID 134433312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).