2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

C16H22ClF3N2O2 — CID 119686315

IUPAC2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CCCO1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-11(12-4-2-5-13(8-12)16(17,18)19)21-15(22)10-20-9-14-6-3-7-23-14;/h2,4-5,8,11,14,20H,3,6-7,9-10H2,1H3,(H,21,22);1H
InChIKeyRKKFUNMCALSZGO-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.07
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 119686315) has the molecular formula C16H22ClF3N2O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
PubChem CID119686315
Molecular FormulaC16H22ClF3N2O2
Molecular Weight366.81 g/mol
Exact Mass366.13
IUPAC Name2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCC(NC(=O)CNCC1CCCO1)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C16H21F3N2O2.ClH/c1-11(12-4-2-5-13(8-12)16(17,18)19)21-15(22)10-20-9-14-6-3-7-23-14;/h2,4-5,8,11,14,20H,3,6-7,9-10H2,1H3,(H,21,22);1H
InChIKeyRKKFUNMCALSZGO-UHFFFAOYSA-N
XLogP3.07
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
CID 119686331
N-[(1S)-1-(4-fluoro-3,5-dimethylphenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methylamino]acetamide
CID 99715210
N-[1-(1,3-benzodioxol-5-yl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119699856
N-[1-(4-ethylphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119685898
N-[1-(3,4-diethoxyphenyl)ethyl]-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119682971
N-[1-[4-(2-methylpropyl)phenyl]ethyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119683065
2-(propan-2-ylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 60683177
N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
2-(2-methoxyethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78913899
N-butan-2-yl-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 71944060
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]ethylamino]ethyl]sulfanylacetic acid
CID 115575103
1-(oxolan-2-yl)-N-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]methanamine;hydrochloride
CID 17151637

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (CID 119686315) is 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is CC(NC(=O)CNCC1CCCO1)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is RKKFUNMCALSZGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c1-11(12-4-2-5-13(8-12)16(17,18)19)21-15(22)10-20-9-14-6-3-7-23-14;/h2,4-5,8,11,14,20H,3,6-7,9-10H2,1H3,(H,21,22);1H.
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 3.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119686315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).