methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate

C16H20F4N2O3 — CID 155699156

IUPACmethyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate
SMILESCOC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(OC(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F4N2O3/c1-14(2,21)9-22(13(23)24-3)15(6-7-15)10-4-5-11(17)12(8-10)25-16(18,19)20/h4-5,8H,6-7,9,21H2,1-3H3
InChIKeyHIZJBUTWUNKQMQ-UHFFFAOYSA-N
MW364.34 g/mol
LogP3.52
Rot. Bonds5

About methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate

methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate (PubChem CID 155699156) has the molecular formula C16H20F4N2O3 and a molecular weight of 364.34 g/mol. Its IUPAC name is methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate.

Molecular Properties

Compound Namemethyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate
PubChem CID155699156
Molecular FormulaC16H20F4N2O3
Molecular Weight364.34 g/mol
Exact Mass364.14
IUPAC Namemethyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate
SMILESCOC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(OC(F)(F)F)c2)CC1
InChIInChI=1S/C16H20F4N2O3/c1-14(2,21)9-22(13(23)24-3)15(6-7-15)10-4-5-11(17)12(8-10)25-16(18,19)20/h4-5,8H,6-7,9,21H2,1-3H3
InChIKeyHIZJBUTWUNKQMQ-UHFFFAOYSA-N
XLogP3.52
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate?
The IUPAC name of methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate (CID 155699156) is methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate.
What is the SMILES notation for methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate?
The canonical SMILES for methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate is COC(=O)N(CC(C)(C)N)C1(c2ccc(F)c(OC(F)(F)F)c2)CC1.
What is the InChIKey of methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate?
The InChIKey is HIZJBUTWUNKQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F4N2O3/c1-14(2,21)9-22(13(23)24-3)15(6-7-15)10-4-5-11(17)12(8-10)25-16(18,19)20/h4-5,8H,6-7,9,21H2,1-3H3.
What are the key properties of methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate?
methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate has a molecular weight of 364.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-amino-2-methylpropyl)-N-[1-[4-fluoro-3-(trifluoromethoxy)phenyl]cyclopropyl]carbamate is sourced from PubChem (CID 155699156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).