tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate

C14H25F3N2O4 — CID 58006935

IUPACtert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate
SMILESCC(C)N(CCOCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25F3N2O4/c1-10(2)19(12(21)23-13(3,4)5)7-9-22-8-6-18-11(20)14(15,16)17/h10H,6-9H2,1-5H3,(H,18,20)
InChIKeyCZLAZZNVFMXTPQ-UHFFFAOYSA-N
MW342.36 g/mol
LogP2.33
Rot. Bonds7

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

tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate (PubChem CID 58006935) has the molecular formula C14H25F3N2O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate
PubChem CID58006935
Molecular FormulaC14H25F3N2O4
Molecular Weight342.36 g/mol
Exact Mass342.18
IUPAC Nametert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate
SMILESCC(C)N(CCOCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C
InChIInChI=1S/C14H25F3N2O4/c1-10(2)19(12(21)23-13(3,4)5)7-9-22-8-6-18-11(20)14(15,16)17/h10H,6-9H2,1-5H3,(H,18,20)
InChIKeyCZLAZZNVFMXTPQ-UHFFFAOYSA-N
XLogP2.33
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate?
The IUPAC name of tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate (CID 58006935) is tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate?
The canonical SMILES for tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate is CC(C)N(CCOCCNC(=O)C(F)(F)F)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate?
The InChIKey is CZLAZZNVFMXTPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O4/c1-10(2)19(12(21)23-13(3,4)5)7-9-22-8-6-18-11(20)14(15,16)17/h10H,6-9H2,1-5H3,(H,18,20).
What are the key properties of tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate?
tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate has a molecular weight of 342.36 g/mol, XLogP of 2.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-propan-2-yl-N-[2-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]ethyl]carbamate is sourced from PubChem (CID 58006935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).