methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate

C20H23F3N2O3 — CID 156825741

IUPACmethyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CC3C(C2)C3c2ccc(C)c(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N2O3/c1-10-3-4-11(7-16(10)20(21,22)23)17-14-8-25(9-15(14)17)18(26)12-5-13(6-12)24-19(27)28-2/h3-4,7,12-15,17H,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyGBCYFVUZFPICQW-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.32
Rot. Bonds3

About methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate

methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate (PubChem CID 156825741) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate.

Molecular Properties

Compound Namemethyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate
PubChem CID156825741
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Namemethyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate
SMILESCOC(=O)NC1CC(C(=O)N2CC3C(C2)C3c2ccc(C)c(C(F)(F)F)c2)C1
InChIInChI=1S/C20H23F3N2O3/c1-10-3-4-11(7-16(10)20(21,22)23)17-14-8-25(9-15(14)17)18(26)12-5-13(6-12)24-19(27)28-2/h3-4,7,12-15,17H,5-6,8-9H2,1-2H3,(H,24,27)
InChIKeyGBCYFVUZFPICQW-UHFFFAOYSA-N
XLogP3.32
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate with MolForge

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Related Compounds

methyl N-[3-[(1S,5R)-6-[3-(2-methylpropyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate
CID 156825684
methyl N-[3-[4-[4-(2-hydroxypropan-2-yl)phenyl]piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864271
methyl N-[3-[4-(4-propan-2-ylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864343
methyl N-[3-[4-(3-tert-butylphenyl)piperidine-1-carbonyl]cyclobutyl]carbamate
CID 156864304
1-[3-[4-methyl-3-(trifluoromethyl)phenyl]piperidin-1-yl]ethanone
CID 166143876
methyl N-[3-[[3-(3-tert-butyl-4-fluorophenyl)cyclobutyl]-methylcarbamoyl]cyclobutyl]carbamate
CID 156864693
methyl N-[3-[2-(2,4-dimethylphenyl)-7-azaspiro[3.5]nonane-7-carbonyl]cyclobutyl]carbamate
CID 156864542
tert-butylbenzene;methyl N-[3-(piperidine-1-carbonyl)cyclobutyl]carbamate
CID 156864323
methyl N-[4-[(3S,4R)-3-[[[3,5-bis(trifluoromethyl)phenyl]-methylcarbamoyl]-methylamino]-4-(4-fluorophenyl)pyrrolidine-1-carbonyl]cyclohexyl]carbamate
CID 73265454
methyl N-[1-(cyanomethyl)-5-(4-methylphenyl)piperidin-3-yl]carbamate
CID 112543541
(3S,5R)-1-(cyclopropanecarbonyl)-N-cyclopropyl-5-(4-fluoro-3-methylphenyl)piperidine-3-carboxamide
CID 92996685
methyl N-[3-[4-(3-chloro-4-methylphenyl)piperidine-1-carbonyl]-1-methylcyclobutyl]carbamate
CID 163667030

Frequently Asked Questions

What is the IUPAC name of methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate?
The IUPAC name of methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate (CID 156825741) is methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate.
What is the SMILES notation for methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate?
The canonical SMILES for methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate is COC(=O)NC1CC(C(=O)N2CC3C(C2)C3c2ccc(C)c(C(F)(F)F)c2)C1.
What is the InChIKey of methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate?
The InChIKey is GBCYFVUZFPICQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-10-3-4-11(7-16(10)20(21,22)23)17-14-8-25(9-15(14)17)18(26)12-5-13(6-12)24-19(27)28-2/h3-4,7,12-15,17H,5-6,8-9H2,1-2H3,(H,24,27).
What are the key properties of methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate?
methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate has a molecular weight of 396.41 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[3-[6-[4-methyl-3-(trifluoromethyl)phenyl]-3-azabicyclo[3.1.0]hexane-3-carbonyl]cyclobutyl]carbamate is sourced from PubChem (CID 156825741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).