N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride

C17H24ClF3N2O3 — CID 119809493

IUPACN-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(C)Oc1ccc(CNC(=O)C2CNCCO2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H23F3N2O3.ClH/c1-16(2,3)25-12-5-4-11(13(8-12)17(18,19)20)9-22-15(23)14-10-21-6-7-24-14;/h4-5,8,14,21H,6-7,9-10H2,1-3H3,(H,22,23);1H
InChIKeyBOWOVHYZDVXPDL-UHFFFAOYSA-N
MW396.84 g/mol
LogP2.91
Rot. Bonds4

About N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride

N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (PubChem CID 119809493) has the molecular formula C17H24ClF3N2O3 and a molecular weight of 396.84 g/mol. Its IUPAC name is N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
PubChem CID119809493
Molecular FormulaC17H24ClF3N2O3
Molecular Weight396.84 g/mol
Exact Mass396.14
IUPAC NameN-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
SMILESCC(C)(C)Oc1ccc(CNC(=O)C2CNCCO2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H23F3N2O3.ClH/c1-16(2,3)25-12-5-4-11(13(8-12)17(18,19)20)9-22-15(23)14-10-21-6-7-24-14;/h4-5,8,14,21H,6-7,9-10H2,1-3H3,(H,22,23);1H
InChIKeyBOWOVHYZDVXPDL-UHFFFAOYSA-N
XLogP2.91
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.84
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119809477
N-[[2-(difluoromethoxy)-5-methoxyphenyl]methyl]morpholine-2-carboxamide
CID 119816344
N-[(4-methyl-2-phenoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811725
N-[(2-ethylphenyl)methyl]morpholine-2-carboxamide
CID 64682849
1-(2-hydroxyethyl)-3-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]urea
CID 111474109
N-[(4-bromo-2-chlorophenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119753692
(4R)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97063377
N-[(2-propan-2-yloxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119707554
N-[2-methyl-2-[4-(2-methylpropoxy)phenyl]propyl]morpholine-2-carboxamide;hydrochloride
CID 119778685
N-[(4-methyl-2-pentoxyphenyl)methyl]morpholine-2-carboxamide;hydrochloride
CID 119811545
N-[[4-(methoxymethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119718146
N-[(4-propoxyphenyl)methyl]morpholine-2-carboxamide
CID 119714378

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride (CID 119809493) is N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is CC(C)(C)Oc1ccc(CNC(=O)C2CNCCO2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
The InChIKey is BOWOVHYZDVXPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O3.ClH/c1-16(2,3)25-12-5-4-11(13(8-12)17(18,19)20)9-22-15(23)14-10-21-6-7-24-14;/h4-5,8,14,21H,6-7,9-10H2,1-3H3,(H,22,23);1H.
What are the key properties of N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride?
N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride has a molecular weight of 396.84 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 119809493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).