tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate

C15H27F3N2O4 — CID 58007136

IUPACtert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCOCCN(C)C(=O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27F3N2O4/c1-11(2)20(13(22)24-14(3,4)5)8-10-23-9-7-19(6)12(21)15(16,17)18/h11H,7-10H2,1-6H3
InChIKeyYIZYMRKFWZJCNV-UHFFFAOYSA-N
MW356.39 g/mol
LogP2.67
Rot. Bonds7

About tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate

tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate (PubChem CID 58007136) has the molecular formula C15H27F3N2O4 and a molecular weight of 356.39 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate
PubChem CID58007136
Molecular FormulaC15H27F3N2O4
Molecular Weight356.39 g/mol
Exact Mass356.19
IUPAC Nametert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate
SMILESCC(C)N(CCOCCN(C)C(=O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C15H27F3N2O4/c1-11(2)20(13(22)24-14(3,4)5)8-10-23-9-7-19(6)12(21)15(16,17)18/h11H,7-10H2,1-6H3
InChIKeyYIZYMRKFWZJCNV-UHFFFAOYSA-N
XLogP2.67
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[2-[(2S)-2-aminopropoxy]ethyl]-N-methylcarbamate
CID 166938037
N-[2-[2-[methyl(prop-1-en-2-yl)amino]ethoxy]ethyl]-N-prop-1-en-2-ylpropan-2-amine
CID 166647363
tert-butyl N-[2-[2-[2-(2-bromoethoxy)ethoxy]ethoxy]ethyl]-N-methylcarbamate
CID 178173815
tert-butyl N-(3-oxopropyl)-N-propan-2-ylcarbamate
CID 105468762
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
methyl 3-[(2-methylpropan-2-yl)oxycarbonyl-propan-2-ylamino]propanoate
CID 141040791
tert-butyl N-[2-(2-hydroxyethoxy)ethyl]-N-methylcarbamate;2-[2-(methylamino)ethoxy]ethanol
CID 158283249
2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
tert-butyl N-(2-aminooxyethyl)-N-methylcarbamate
CID 23398498
tert-butyl (3S)-3-amino-6-[methyl-(2,2,2-trifluoroacetyl)amino]hexanoate
CID 11109736
tert-butyl N-[2-(4-isothiocyanatophenoxy)ethyl]-N-propan-2-ylcarbamate
CID 86590645

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate?
The IUPAC name of tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate (CID 58007136) is tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate.
What is the SMILES notation for tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate?
The canonical SMILES for tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate is CC(C)N(CCOCCN(C)C(=O)C(F)(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate?
The InChIKey is YIZYMRKFWZJCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O4/c1-11(2)20(13(22)24-14(3,4)5)8-10-23-9-7-19(6)12(21)15(16,17)18/h11H,7-10H2,1-6H3.
What are the key properties of tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate?
tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate has a molecular weight of 356.39 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]-N-propan-2-ylcarbamate is sourced from PubChem (CID 58007136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).