methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate

C17H22F4N2O2 — CID 163218532

IUPACmethyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate
SMILESCOC(=O)N(CC(C)(C)N)C1(c2cc(F)cc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H22F4N2O2/c1-15(2,22)10-23(14(24)25-3)16(5-4-6-16)11-7-12(17(19,20)21)9-13(18)8-11/h7-9H,4-6,10,22H2,1-3H3
InChIKeySEDBSEYPBYXIGN-UHFFFAOYSA-N
MW362.37 g/mol
LogP4.03
Rot. Bonds4

About methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate

methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate (PubChem CID 163218532) has the molecular formula C17H22F4N2O2 and a molecular weight of 362.37 g/mol. Its IUPAC name is methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate
PubChem CID163218532
Molecular FormulaC17H22F4N2O2
Molecular Weight362.37 g/mol
Exact Mass362.16
IUPAC Namemethyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate
SMILESCOC(=O)N(CC(C)(C)N)C1(c2cc(F)cc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C17H22F4N2O2/c1-15(2,22)10-23(14(24)25-3)16(5-4-6-16)11-7-12(17(19,20)21)9-13(18)8-11/h7-9H,4-6,10,22H2,1-3H3
InChIKeySEDBSEYPBYXIGN-UHFFFAOYSA-N
XLogP4.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 54.03
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
methyl 5-[[3-fluoro-5-(trifluoromethyl)phenyl]methylcarbamoyl]-5-methyl-2H-pyrrole-1-carboxylate
CID 5459677
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
Methyl azetidin-3-yl(1-(4-fluoro-3-(trifluoromethyl)phenyl)cyclopropyl)carbamate
CID 155146497
Methyl N-(2-(dimethylamino)ethyl)-N-(1-(4-fluoro-3-(trifluoromethyl)phenyl)cyclopropyl) carbamate
CID 155146604
Methyl (R)-(1-(4-fluoro-3-(trifluoromethyl)phenyl)cyclopropyl)((2-methyl pyrrolidin-2-yl)methyl)carbamate
CID 155699111
Methyl (1-(4-fluoro-3-(trifluoromethyl)phenyl)cyclopropyl)((1-methylazetidin-2-yl)methyl)carbamate
CID 155699115

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate (CID 163218532) is methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate is COC(=O)N(CC(C)(C)N)C1(c2cc(F)cc(C(F)(F)F)c2)CCC1.
What is the InChIKey of methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
The InChIKey is SEDBSEYPBYXIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F4N2O2/c1-15(2,22)10-23(14(24)25-3)16(5-4-6-16)11-7-12(17(19,20)21)9-13(18)8-11/h7-9H,4-6,10,22H2,1-3H3.
What are the key properties of methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
methyl N-(2-amino-2-methylpropyl)-N-[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate has a molecular weight of 362.37 g/mol, XLogP of 4.03, 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-fluoro-5-(trifluoromethyl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 163218532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).