tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate

C16H27F3N2O4 — CID 154687206

IUPACtert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
SMILESCOCCN(C(=O)C(F)(F)F)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27F3N2O4/c1-15(2,3)25-14(23)20-11-5-7-12(8-6-11)21(9-10-24-4)13(22)16(17,18)19/h11-12H,5-10H2,1-4H3,(H,20,23)
InChIKeyIRZQLCAKBLMVGB-UHFFFAOYSA-N
MW368.40 g/mol
LogP2.86
Rot. Bonds5

About tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate

tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate (PubChem CID 154687206) has the molecular formula C16H27F3N2O4 and a molecular weight of 368.40 g/mol. Its IUPAC name is tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
PubChem CID154687206
Molecular FormulaC16H27F3N2O4
Molecular Weight368.40 g/mol
Exact Mass368.19
IUPAC Nametert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
SMILESCOCCN(C(=O)C(F)(F)F)C1CCC(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C16H27F3N2O4/c1-15(2,3)25-14(23)20-11-5-7-12(8-6-11)21(9-10-24-4)13(22)16(17,18)19/h11-12H,5-10H2,1-4H3,(H,20,23)
InChIKeyIRZQLCAKBLMVGB-UHFFFAOYSA-N
XLogP2.86
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate (CID 154687206) is tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate is COCCN(C(=O)C(F)(F)F)C1CCC(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The InChIKey is IRZQLCAKBLMVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N2O4/c1-15(2,3)25-14(23)20-11-5-7-12(8-6-11)21(9-10-24-4)13(22)16(17,18)19/h11-12H,5-10H2,1-4H3,(H,20,23).
What are the key properties of tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate has a molecular weight of 368.40 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-[2-methoxyethyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 154687206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).