methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate

C17H23F3N2O2 — CID 163218519

IUPACmethyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate
SMILESCOC(=O)N(CC(C)(C)N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H23F3N2O2/c1-15(2,21)11-22(14(23)24-3)16(8-5-9-16)12-6-4-7-13(10-12)17(18,19)20/h4,6-7,10H,5,8-9,11,21H2,1-3H3
InChIKeyTYMVDLMMWXMFOG-UHFFFAOYSA-N
MW344.38 g/mol
LogP3.89
Rot. Bonds4

About methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate

methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate (PubChem CID 163218519) has the molecular formula C17H23F3N2O2 and a molecular weight of 344.38 g/mol. Its IUPAC name is methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate
PubChem CID163218519
Molecular FormulaC17H23F3N2O2
Molecular Weight344.38 g/mol
Exact Mass344.17
IUPAC Namemethyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate
SMILESCOC(=O)N(CC(C)(C)N)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H23F3N2O2/c1-15(2,21)11-22(14(23)24-3)16(8-5-9-16)12-6-4-7-13(10-12)17(18,19)20/h4,6-7,10H,5,8-9,11,21H2,1-3H3
InChIKeyTYMVDLMMWXMFOG-UHFFFAOYSA-N
XLogP3.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
CID 155699138
methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]carbamate
CID 155699161
ethyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate
CID 155699165
methyl N-[1-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropyl]-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]carbamate
CID 155699169
1-N-cyclobutyl-2-methyl-1-N-[1-[3-(trifluoromethyl)phenyl]cyclopropyl]propane-1,2-diamine
CID 162371808
methyl 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]-5-methyl-2H-pyrrole-1-carboxylate
CID 5459677
tert-butyl N-{2-amino-1-[3-(trifluoromethyl)phenyl]ethyl}carbamate
CID 43094068
N-ethyl-N'-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanediamide
CID 71998420
methyl N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]carbamate
CID 134794315
Methyl (S)-(azetidin-2-ylmethyl)(1-(4-fluoro-3-(trifluoromethyl)phenyl)-cyclopropyl)carbamate
CID 155146264
Methyl (azetidin-2-ylmethyl)(1-(4-fluoro-3-(trifluoromethyl)phenyl)cyclopropyl)carbamate
CID 155146266
Methyl 3-((1-(4-fluoro-3-(trifluoromethyl) phenyl) cyclopropyl)(methoxycarbonyl)amino)azetidine-1-carboxylate
CID 155146379

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate (CID 163218519) is methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate is COC(=O)N(CC(C)(C)N)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
The InChIKey is TYMVDLMMWXMFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2/c1-15(2,21)11-22(14(23)24-3)16(8-5-9-16)12-6-4-7-13(10-12)17(18,19)20/h4,6-7,10H,5,8-9,11,21H2,1-3H3.
What are the key properties of methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate has a molecular weight of 344.38 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-2-methylpropyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 163218519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).