2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

C16H22ClF3N2O2 — CID 120785883

IUPAC2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-10(11-2-4-13(5-3-11)16(17,18)19)21-15(22)14(20)12-6-8-23-9-7-12;/h2-5,10,12,14H,6-9,20H2,1H3,(H,21,22);1H
InChIKeyPJIVLFAUFWQLON-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.06
Rot. Bonds4

About 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 120785883) has the molecular formula C16H22ClF3N2O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
PubChem CID120785883
Molecular FormulaC16H22ClF3N2O2
Molecular Weight366.81 g/mol
Exact Mass366.13
IUPAC Name2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)C(N)C1CCOCC1)c1ccc(C(F)(F)F)cc1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-10(11-2-4-13(5-3-11)16(17,18)19)21-15(22)14(20)12-6-8-23-9-7-12;/h2-5,10,12,14H,6-9,20H2,1H3,(H,21,22);1H
InChIKeyPJIVLFAUFWQLON-UHFFFAOYSA-N
XLogP3.06
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(3,4-difluorophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784097
2-amino-N-[1-[4-(dimethylsulfamoyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120789057
2-amino-N-[1-[4-(2-methoxyethylsulfanyl)phenyl]ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792135
2-amino-N-[2-methyl-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120785843
2-amino-N-[1-[4-(diethylcarbamoylamino)phenyl]ethyl]-2-(oxan-4-yl)acetamide
CID 120788514
2-amino-2-(oxan-4-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 120784158
2-amino-N-[1-(2-bromophenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784075
2-amino-N-[1-(3,4-dipropoxyphenyl)ethyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784279
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976
2-amino-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120799857
2-amino-N-(1-naphthalen-1-ylethyl)-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784151

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (CID 120785883) is 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is CC(NC(=O)C(N)C1CCOCC1)c1ccc(C(F)(F)F)cc1.Cl.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is PJIVLFAUFWQLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c1-10(11-2-4-13(5-3-11)16(17,18)19)21-15(22)14(20)12-6-8-23-9-7-12;/h2-5,10,12,14H,6-9,20H2,1H3,(H,21,22);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 120785883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).