2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

C16H20F3NO2 — CID 71796110

IUPAC2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc(CC(=O)N(CC(F)(F)F)C2CCOCC2)c1
InChIInChI=1S/C16H20F3NO2/c1-12-3-2-4-13(9-12)10-15(21)20(11-16(17,18)19)14-5-7-22-8-6-14/h2-4,9,14H,5-8,10-11H2,1H3
InChIKeyNLAPJNQSHXPCPY-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.11
Rot. Bonds4

About 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide

2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 71796110) has the molecular formula C16H20F3NO2 and a molecular weight of 315.33 g/mol. Its IUPAC name is 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID71796110
Molecular FormulaC16H20F3NO2
Molecular Weight315.33 g/mol
Exact Mass315.14
IUPAC Name2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc(CC(=O)N(CC(F)(F)F)C2CCOCC2)c1
InChIInChI=1S/C16H20F3NO2/c1-12-3-2-4-13(9-12)10-15(21)20(11-16(17,18)19)14-5-7-22-8-6-14/h2-4,9,14H,5-8,10-11H2,1H3
InChIKeyNLAPJNQSHXPCPY-UHFFFAOYSA-N
XLogP3.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-methylphenyl)-N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)acetamide
CID 90607368
N-(4-acetamidophenyl)-2-(3-methylphenyl)-N-(oxan-4-yl)acetamide
CID 113095232
N-cyclopentyl-2-(3-nitrophenyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 122145985
2-(1-methylindol-3-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 90554659
1-(3-methylphenyl)-3-(oxan-4-yl)propan-2-one
CID 55096319
N-(2-aminoethyl)-N-cyclopentyl-2-(3-methylphenyl)acetamide
CID 63754808
N-(2-bromoethyl)-N-cyclohexyl-2-(3-methylphenyl)acetamide
CID 80659704
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 71796118
N-methyl-2-(3-methylphenyl)-N-[(3S)-2-oxooxolan-3-yl]acetamide
CID 146504800
(E)-3-(1,3-benzodioxol-5-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 90554750
5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796132
2-(3-methylphenyl)-N-propyl-N-[(3S)-pyrrolidin-3-yl]acetamide
CID 94420232

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 71796110) is 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cccc(CC(=O)N(CC(F)(F)F)C2CCOCC2)c1.
What is the InChIKey of 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is NLAPJNQSHXPCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO2/c1-12-3-2-4-13(9-12)10-15(21)20(11-16(17,18)19)14-5-7-22-8-6-14/h2-4,9,14H,5-8,10-11H2,1H3.
What are the key properties of 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide?
2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 315.33 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 71796110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).