N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide

C16H20F3NO4 — CID 100784086

IUPACN-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cc1C(F)(F)F
InChIInChI=1S/C16H20F3NO4/c1-14(2)23-8-15(3,9-24-14)13(21)20-10-5-6-12(22-4)11(7-10)16(17,18)19/h5-7H,8-9H2,1-4H3,(H,20,21)
InChIKeyJOSPPEBVHPIGEO-UHFFFAOYSA-N
MW347.33 g/mol
LogP3.44
Rot. Bonds3

About N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide

N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide (PubChem CID 100784086) has the molecular formula C16H20F3NO4 and a molecular weight of 347.33 g/mol. Its IUPAC name is N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
PubChem CID100784086
Molecular FormulaC16H20F3NO4
Molecular Weight347.33 g/mol
Exact Mass347.13
IUPAC NameN-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cc1C(F)(F)F
InChIInChI=1S/C16H20F3NO4/c1-14(2)23-8-15(3,9-24-14)13(21)20-10-5-6-12(22-4)11(7-10)16(17,18)19/h5-7H,8-9H2,1-4H3,(H,20,21)
InChIKeyJOSPPEBVHPIGEO-UHFFFAOYSA-N
XLogP3.44
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-(3,4-dimethoxyphenyl)-N-[4-(2-methoxyethoxy)-3-(trifluoromethyl)phenyl]-5-methyl-1,3-dioxane-5-carboxamide
CID 100784165
5-methyl-N-[4-(2-methylpropoxy)-3-(trifluoromethyl)phenyl]-2-propan-2-yl-1,3-dioxane-5-carboxamide
CID 100784108
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-propoxycycloheptane-1-carboxamide
CID 100767379
5-methyl-N-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-2-[3-(trifluoromethyl)phenyl]-1,3-dioxane-5-carboxamide
CID 100784234
N-(6-methoxy-3-pyridinyl)-2,2,5-trimethyl-1,3-dioxane-5-carboxamide
CID 100779083
N-[4-methoxy-3-(trifluoromethyl)phenyl]-1-(3-methylphenyl)cyclohexane-1-carboxamide
CID 100745234
N-[4-methoxy-3-(trifluoromethyl)phenyl]-4-methyl-1-propoxycyclohexane-1-carboxamide
CID 100768372
5-chloro-N-[4-methoxy-3-(trifluoromethyl)phenyl]pentanamide
CID 43470712
2,2,2-trifluoro-N-[3-methoxy-4-(trifluoromethyl)phenyl]acetamide
CID 131964350
N-(4-methoxyphenyl)-3-methyl-1,5-dioxaspiro[5.5]undecane-3-carboxamide
CID 100779113

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide?
The IUPAC name of N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide (CID 100784086) is N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide.
What is the SMILES notation for N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide?
The canonical SMILES for N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide is COc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cc1C(F)(F)F.
What is the InChIKey of N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide?
The InChIKey is JOSPPEBVHPIGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3NO4/c1-14(2)23-8-15(3,9-24-14)13(21)20-10-5-6-12(22-4)11(7-10)16(17,18)19/h5-7H,8-9H2,1-4H3,(H,20,21).
What are the key properties of N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide?
N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(trifluoromethyl)phenyl]-2,2,5-trimethyl-1,3-dioxane-5-carboxamide is sourced from PubChem (CID 100784086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).