N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide

C17H22F3NO2 — CID 51107956

IUPACN-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3NO2/c1-11(2)15(21-16(22)12-6-8-23-9-7-12)13-4-3-5-14(10-13)17(18,19)20/h3-5,10-12,15H,6-9H2,1-2H3,(H,21,22)
InChIKeyQUZGZEQQBWXZCD-UHFFFAOYSA-N
MW329.36 g/mol
LogP3.95
Rot. Bonds4

About N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide

N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide (PubChem CID 51107956) has the molecular formula C17H22F3NO2 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
PubChem CID51107956
Molecular FormulaC17H22F3NO2
Molecular Weight329.36 g/mol
Exact Mass329.16
IUPAC NameN-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
SMILESCC(C)C(NC(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H22F3NO2/c1-11(2)15(21-16(22)12-6-8-23-9-7-12)13-4-3-5-14(10-13)17(18,19)20/h3-5,10-12,15H,6-9H2,1-2H3,(H,21,22)
InChIKeyQUZGZEQQBWXZCD-UHFFFAOYSA-N
XLogP3.95
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexanecarboxamide
CID 112764056
(3R)-N-[(3S)-3-[3-(trifluoromethyl)phenyl]butyl]oxolane-3-carboxamide
CID 96521769
1-[[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]carbamoyl]piperidine-3-carboxylic acid
CID 122000122
4-amino-N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]pentanamide;hydrochloride
CID 120562077
3-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]cyclopentane-1-carboxamide
CID 119771346
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 66009151
N-[1-(3-chlorophenyl)ethyl]oxane-4-carboxamide
CID 51073080
(2R)-2-methyl-N-[(1S)-2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]butanediamide
CID 124849209
N-[1-[3-(trifluoromethyl)phenyl]ethyl]morpholine-2-carboxamide;hydrochloride
CID 119686341
(2S,4S)-2-methyl-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]piperidine-4-carboxamide;hydrochloride
CID 120639730
1-prop-2-ynyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxamide
CID 51091244
3-amino-N-[1-[3-(trifluoromethyl)phenyl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119686308

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide?
The IUPAC name of N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide (CID 51107956) is N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide.
What is the SMILES notation for N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide?
The canonical SMILES for N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide is CC(C)C(NC(=O)C1CCOCC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide?
The InChIKey is QUZGZEQQBWXZCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3NO2/c1-11(2)15(21-16(22)12-6-8-23-9-7-12)13-4-3-5-14(10-13)17(18,19)20/h3-5,10-12,15H,6-9H2,1-2H3,(H,21,22).
What are the key properties of N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide?
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide has a molecular weight of 329.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide is sourced from PubChem (CID 51107956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).