3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide

C16H21F3N2O2 — CID 162572420

IUPAC3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
SMILESCC(C)(C)OC1CN(C(=O)NCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)23-12-9-21(10-12)14(22)20-8-11-6-4-5-7-13(11)16(17,18)19/h4-7,12H,8-10H2,1-3H3,(H,20,22)
InChIKeyAVTDXNLACODYJN-UHFFFAOYSA-N
MW330.35 g/mol
LogP3.41
Rot. Bonds3

About 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide

3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide (PubChem CID 162572420) has the molecular formula C16H21F3N2O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound Name3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
PubChem CID162572420
Molecular FormulaC16H21F3N2O2
Molecular Weight330.35 g/mol
Exact Mass330.16
IUPAC Name3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide
SMILESCC(C)(C)OC1CN(C(=O)NCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C16H21F3N2O2/c1-15(2,3)23-12-9-21(10-12)14(22)20-8-11-6-4-5-7-13(11)16(17,18)19/h4-7,12H,8-10H2,1-3H3,(H,20,22)
InChIKeyAVTDXNLACODYJN-UHFFFAOYSA-N
XLogP3.41
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide?
The IUPAC name of 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide (CID 162572420) is 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide?
The canonical SMILES for 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide is CC(C)(C)OC1CN(C(=O)NCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide?
The InChIKey is AVTDXNLACODYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O2/c1-15(2,3)23-12-9-21(10-12)14(22)20-8-11-6-4-5-7-13(11)16(17,18)19/h4-7,12H,8-10H2,1-3H3,(H,20,22).
What are the key properties of 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide?
3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide has a molecular weight of 330.35 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylpropan-2-yl)oxy]-N-[[2-(trifluoromethyl)phenyl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 162572420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).