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

C15H25F3N2O3 — CID 162490802

IUPACmethyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
SMILESCOC(=O)N(C1CCC(N(C)C(=O)C(F)(F)F)CC1)C(C)(C)C
InChIInChI=1S/C15H25F3N2O3/c1-14(2,3)20(13(22)23-5)11-8-6-10(7-9-11)19(4)12(21)15(16,17)18/h10-11H,6-9H2,1-5H3
InChIKeyXIHQVDZTOAJXSL-UHFFFAOYSA-N
MW338.37 g/mol
LogP3.19
Rot. Bonds2

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

methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate (PubChem CID 162490802) has the molecular formula C15H25F3N2O3 and a molecular weight of 338.37 g/mol. Its IUPAC name is methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
PubChem CID162490802
Molecular FormulaC15H25F3N2O3
Molecular Weight338.37 g/mol
Exact Mass338.18
IUPAC Namemethyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate
SMILESCOC(=O)N(C1CCC(N(C)C(=O)C(F)(F)F)CC1)C(C)(C)C
InChIInChI=1S/C15H25F3N2O3/c1-14(2,3)20(13(22)23-5)11-8-6-10(7-9-11)19(4)12(21)15(16,17)18/h10-11H,6-9H2,1-5H3
InChIKeyXIHQVDZTOAJXSL-UHFFFAOYSA-N
XLogP3.19
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
methyl N-tert-butyl-N-(oxan-4-yl)carbamate
CID 23087104
2,2,2-trifluoro-N-methyl-N-(4-oxocyclohexyl)acetamide
CID 79119811
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
CID 18187514
methyl N-tert-butyl-N-[(3S)-1,1-dioxothiolan-3-yl]carbamate
CID 59831582
methyl 4-[methoxycarbonyl(methyl)amino]cyclohexane-1-carboxylate
CID 115270421
2,2,2-trifluoroethyl N-cyclopropyl-N-methylcarbamate
CID 62068097
2-fluoro-N,2-dimethyl-N-(oxan-4-yl)propanamide
CID 130165390
methyl 4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclohexane-1-carboxylate
CID 23062642
2,2,2-trifluoro-N-methyl-N-[(3S)-1-propan-2-ylpyrrolidin-3-yl]acetamide
CID 167014220
methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate
CID 112616726
tert-butyl-[4-(dicyclopropylamino)cyclohexyl]carbamic acid
CID 67126555

Frequently Asked Questions

What is the IUPAC name of methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The IUPAC name of methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate (CID 162490802) is methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The canonical SMILES for methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate is COC(=O)N(C1CCC(N(C)C(=O)C(F)(F)F)CC1)C(C)(C)C.
What is the InChIKey of methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
The InChIKey is XIHQVDZTOAJXSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N2O3/c1-14(2,3)20(13(22)23-5)11-8-6-10(7-9-11)19(4)12(21)15(16,17)18/h10-11H,6-9H2,1-5H3.
What are the key properties of methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate?
methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate has a molecular weight of 338.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-tert-butyl-N-[4-[methyl-(2,2,2-trifluoroacetyl)amino]cyclohexyl]carbamate is sourced from PubChem (CID 162490802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).