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

C16H22ClF3N2O — CID 119806417

IUPAC2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(10-20-2)14(22)21-15(7-4-8-15)12-5-3-6-13(9-12)16(17,18)19;/h3,5-6,9,11,20H,4,7-8,10H2,1-2H3,(H,21,22);1H
InChIKeyYIAYZGFVHCHQCM-UHFFFAOYSA-N
MW350.81 g/mol
LogP3.48
Rot. Bonds5

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

2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride (PubChem CID 119806417) has the molecular formula C16H22ClF3N2O and a molecular weight of 350.81 g/mol. Its IUPAC name is 2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
PubChem CID119806417
Molecular FormulaC16H22ClF3N2O
Molecular Weight350.81 g/mol
Exact Mass350.14
IUPAC Name2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride
SMILESCNCC(C)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.Cl
InChIInChI=1S/C16H21F3N2O.ClH/c1-11(10-20-2)14(22)21-15(7-4-8-15)12-5-3-6-13(9-12)16(17,18)19;/h3,5-6,9,11,20H,4,7-8,10H2,1-2H3,(H,21,22);1H
InChIKeyYIAYZGFVHCHQCM-UHFFFAOYSA-N
XLogP3.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.81
LogP ≤ 53.48
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;hydrochloride
CID 119805138
2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide;hydrochloride
CID 119806409
2-methyl-3-(methylamino)-N-[[1-[3-(trifluoromethyl)phenyl]cyclobutyl]methyl]propanamide
CID 119805139
2-methyl-3-(methylamino)-N-(1-phenylcyclobutyl)propanamide;hydrochloride
CID 119697180
4-amino-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]pentanamide
CID 120563496
N-[1-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(methylamino)propanamide
CID 119799433
N-[1-(4-fluorophenyl)cyclopentyl]-2-methyl-3-(methylamino)propanamide
CID 119752714
2-methyl-3-(methylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 79196060
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 120593516
2-(4-aminophenyl)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]acetamide
CID 119806400
2-methyl-3-(methylamino)-N-[2-methyl-2-[3-(trifluoromethyl)phenyl]propyl]propanamide;hydrochloride
CID 119771425
3-piperidin-4-yl-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]butanamide
CID 119806424

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride?
The IUPAC name of 2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride (CID 119806417) is 2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride.
What is the SMILES notation for 2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride?
The canonical SMILES for 2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride is CNCC(C)C(=O)NC1(c2cccc(C(F)(F)F)c2)CCC1.Cl.
What is the InChIKey of 2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride?
The InChIKey is YIAYZGFVHCHQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O.ClH/c1-11(10-20-2)14(22)21-15(7-4-8-15)12-5-3-6-13(9-12)16(17,18)19;/h3,5-6,9,11,20H,4,7-8,10H2,1-2H3,(H,21,22);1H.
What are the key properties of 2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride?
2-methyl-3-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]cyclobutyl]propanamide;hydrochloride has a molecular weight of 350.81 g/mol, XLogP of 3.48, 5 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]propanamide;hydrochloride is sourced from PubChem (CID 119806417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).