4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

C18H24F3NO2 — CID 90554705

IUPAC4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)N(CC(F)(F)F)C2CCOCC2)cc1
InChIInChI=1S/C18H24F3NO2/c1-17(2,3)14-6-4-13(5-7-14)16(23)22(12-18(19,20)21)15-8-10-24-11-9-15/h4-7,15H,8-12H2,1-3H3
InChIKeyLQQLJQPOSNETNU-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.17
Rot. Bonds3

About 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide

4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 90554705) has the molecular formula C18H24F3NO2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID90554705
Molecular FormulaC18H24F3NO2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC Name4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCC(C)(C)c1ccc(C(=O)N(CC(F)(F)F)C2CCOCC2)cc1
InChIInChI=1S/C18H24F3NO2/c1-17(2,3)14-6-4-13(5-7-14)16(23)22(12-18(19,20)21)15-8-10-24-11-9-15/h4-7,15H,8-12H2,1-3H3
InChIKeyLQQLJQPOSNETNU-UHFFFAOYSA-N
XLogP4.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554727
N-(oxan-4-yl)-4-phenyl-N-(2,2,2-trifluoroethyl)benzamide
CID 90554748
N-(oxan-4-yl)-6-oxo-N-(2,2,2-trifluoroethyl)-1H-pyridine-3-carboxamide
CID 90554644
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-2,1,3-benzothiadiazole-5-carboxamide
CID 71796138
5-methyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796132
N-cyclopropyl-N-(2,2,2-trifluoroethyl)benzamide
CID 61410101
2-fluoro-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide
CID 90554720
4-(methoxymethyl)-N-[(3R)-oxan-3-yl]-N-(2,2,2-trifluoroethyl)benzamide
CID 97051798
N-cyclohexyl-N-ethyl-4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]benzamide
CID 24895553
2-methoxy-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 90554677
N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1-benzofuran-2-carboxamide
CID 71796118
5-(furan-2-yl)-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)-1,2-oxazole-3-carboxamide
CID 71796090

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide (CID 90554705) is 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is CC(C)(C)c1ccc(C(=O)N(CC(F)(F)F)C2CCOCC2)cc1.
What is the InChIKey of 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is LQQLJQPOSNETNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO2/c1-17(2,3)14-6-4-13(5-7-14)16(23)22(12-18(19,20)21)15-8-10-24-11-9-15/h4-7,15H,8-12H2,1-3H3.
What are the key properties of 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide?
4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 343.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(oxan-4-yl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 90554705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).