methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate

C18H23F3N2O2 — CID 163218531

IUPACmethyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate
SMILESCOC(=O)N(C[C@H]1CCCN1)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H23F3N2O2/c1-25-16(24)23(12-15-7-3-10-22-15)17(8-4-9-17)13-5-2-6-14(11-13)18(19,20)21/h2,5-6,11,15,22H,3-4,7-10,12H2,1H3/t15-/m1/s1
InChIKeyUNBGUDOWIUHKSM-OAHLLOKOSA-N
MW356.39 g/mol
LogP3.90
Rot. Bonds4

About methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate

methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate (PubChem CID 163218531) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate
PubChem CID163218531
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Namemethyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate
SMILESCOC(=O)N(C[C@H]1CCCN1)C1(c2cccc(C(F)(F)F)c2)CCC1
InChIInChI=1S/C18H23F3N2O2/c1-25-16(24)23(12-15-7-3-10-22-15)17(8-4-9-17)13-5-2-6-14(11-13)18(19,20)21/h2,5-6,11,15,22H,3-4,7-10,12H2,1H3/t15-/m1/s1
InChIKeyUNBGUDOWIUHKSM-OAHLLOKOSA-N
XLogP3.90
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate (CID 163218531) is methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate is COC(=O)N(C[C@H]1CCCN1)C1(c2cccc(C(F)(F)F)c2)CCC1.
What is the InChIKey of methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
The InChIKey is UNBGUDOWIUHKSM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H23F3N2O2/c1-25-16(24)23(12-15-7-3-10-22-15)17(8-4-9-17)13-5-2-6-14(11-13)18(19,20)21/h2,5-6,11,15,22H,3-4,7-10,12H2,1H3/t15-/m1/s1.
What are the key properties of methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate?
methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate has a molecular weight of 356.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[[(2R)-pyrrolidin-2-yl]methyl]-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 163218531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).