5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide

C20H28F3NO4 — CID 100784108

IUPAC5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1C(F)(F)F
InChIInChI=1S/C20H28F3NO4/c1-12(2)9-26-16-7-6-14(8-15(16)20(21,22)23)24-18(25)19(5)10-27-17(13(3)4)28-11-19/h6-8,12-13,17H,9-11H2,1-5H3,(H,24,25)
InChIKeyDPNFVQTZZCUKRJ-UHFFFAOYSA-N
MW403.44 g/mol
LogP4.71
Rot. Bonds6

About 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide

5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide (PubChem CID 100784108) has the molecular formula C20H28F3NO4 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide
PubChem CID100784108
Molecular FormulaC20H28F3NO4
Molecular Weight403.44 g/mol
Exact Mass403.20
IUPAC Name5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide
SMILESCC(C)COc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1C(F)(F)F
InChIInChI=1S/C20H28F3NO4/c1-12(2)9-26-16-7-6-14(8-15(16)20(21,22)23)24-18(25)19(5)10-27-17(13(3)4)28-11-19/h6-8,12-13,17H,9-11H2,1-5H3,(H,24,25)
InChIKeyDPNFVQTZZCUKRJ-UHFFFAOYSA-N
XLogP4.71
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100784086
4-(4-chlorophenyl)-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 100784348
2-(3,4-dimethoxyphenyl)-N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1,3-dioxane-5-carboxamide
CID 100784165
5-methyl-N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide
CID 100784234
N-[4-methoxy-3-(trifluoromethyl)phenyl]-8-methyl-6,10-dioxaspiro[4.5]decane-8-carboxamide
CID 100784252
3-methyl-N-[4-prop-2-enoxy-3-(trifluoromethyl)phenyl]-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100784097
3-(4-chlorophenyl)-2,2-dimethyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]propanamide
CID 100784565
methyl 4-(2-methylpropoxy)-3-(trifluoromethyl)benzoate
CID 169061075
2-(2-fluorophenyl)-5-methyl-N-[4-(2-methylpropoxy)naphthalen-1-yl]-1,3-dioxane-5-carboxamide
CID 100779818
methyl 2-(2-methylpropoxy)-5-[(2,2,2-trifluoroacetyl)amino]benzoate
CID 100750408
1-methyl-N-[4-(2-methylpropoxy)phenyl]cyclopentane-1-carboxamide
CID 100691652
N-[5-acetyl-2-(2-methylpropoxy)phenyl]-2,2,2-trifluoroacetamide
CID 82156457

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide?
The IUPAC name of 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide (CID 100784108) is 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide?
The canonical SMILES for 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide is CC(C)COc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1C(F)(F)F.
What is the InChIKey of 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide?
The InChIKey is DPNFVQTZZCUKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F3NO4/c1-12(2)9-26-16-7-6-14(8-15(16)20(21,22)23)24-18(25)19(5)10-27-17(13(3)4)28-11-19/h6-8,12-13,17H,9-11H2,1-5H3,(H,24,25).
What are the key properties of 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide?
5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100784108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).