2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride

C17H24ClF3N2O — CID 119805138

IUPAC2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-12(10-21-2)15(23)22-11-16(7-4-8-16)13-5-3-6-14(9-13)17(18,19)20;/h3,5-6,9,12,21H,4,7-8,10-11H2,1-2H3,(H,22,23);1H
InChIKeyPCNUVVKWYODLRO-UHFFFAOYSA-N
MW364.84 g/mol
LogP3.52
Rot. Bonds6

About 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride

2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride (PubChem CID 119805138) has the molecular formula C17H24ClF3N2O and a molecular weight of 364.84 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride
PubChem CID119805138
Molecular FormulaC17H24ClF3N2O
Molecular Weight364.84 g/mol
Exact Mass364.15
IUPAC Name2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1.Cl
InChIInChI=1S/C17H23F3N2O.ClH/c1-12(10-21-2)15(23)22-11-16(7-4-8-16)13-5-3-6-14(9-13)17(18,19)20;/h3,5-6,9,12,21H,4,7-8,10-11H2,1-2H3,(H,22,23);1H
InChIKeyPCNUVVKWYODLRO-UHFFFAOYSA-N
XLogP3.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.84
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139
N-[[1-(3-bromophenyl)cyclobutyl]methyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119744821
(2S)-2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]propanamide
CID 119335838
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
CID 119806417
2-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]acetamide
CID 119805131
1-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119805118
4-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopentyl]methyl]pentanamide
CID 120561385
N-[2-oxo-2-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methylamino]ethyl]propanamide
CID 71998503
2-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclohexyl]methyl]acetamide;hydrochloride
CID 119335841
4-amino-3-methoxy-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]butanamide;hydrochloride
CID 120593447
3-amino-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]butanamide
CID 119772778
1-N'-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]cyclopropane-1,1-dicarboxamide
CID 75373653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride (CID 119805138) is 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride is CNCC(C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride?
The InChIKey is PCNUVVKWYODLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O.ClH/c1-12(10-21-2)15(23)22-11-16(7-4-8-16)13-5-3-6-14(9-13)17(18,19)20;/h3,5-6,9,12,21H,4,7-8,10-11H2,1-2H3,(H,22,23);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride has a molecular weight of 364.84 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide;hydrochloride is sourced from PubChem (CID 119805138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).