3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide

C20H23F3N2O3 — CID 26707982

IUPAC3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
SMILESCOc1cc(CCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc(OC)c1
InChIInChI=1S/C20H23F3N2O3/c1-25(2)18-7-6-14(20(21,22)23)11-17(18)24-19(26)8-5-13-9-15(27-3)12-16(10-13)28-4/h6-7,9-12H,5,8H2,1-4H3,(H,24,26)
InChIKeyXBHHDJQMMVUKDH-UHFFFAOYSA-N
MW396.41 g/mol
LogP4.36
Rot. Bonds7

About 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide

3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide (PubChem CID 26707982) has the molecular formula C20H23F3N2O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
PubChem CID26707982
Molecular FormulaC20H23F3N2O3
Molecular Weight396.41 g/mol
Exact Mass396.17
IUPAC Name3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
SMILESCOc1cc(CCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc(OC)c1
InChIInChI=1S/C20H23F3N2O3/c1-25(2)18-7-6-14(20(21,22)23)11-17(18)24-19(26)8-5-13-9-15(27-3)12-16(10-13)28-4/h6-7,9-12H,5,8H2,1-4H3,(H,24,26)
InChIKeyXBHHDJQMMVUKDH-UHFFFAOYSA-N
XLogP4.36
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16599589
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 112766856
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-2-(4-ethoxyphenyl)acetamide
CID 112766844
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 24506070
2-(4-acetylphenoxy)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]acetamide
CID 17414348
N-(2-acetamido-4,5-difluorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 51132483
N-(2,4-dimethoxyphenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26692146
N-(4-chlorophenyl)-3-(3,5-dimethoxyphenyl)propanamide
CID 26688109
1-tert-butyl-3-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]urea
CID 78786564
N-[5-chloro-2-(dimethylamino)phenyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 55337257
N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 30444667
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide
CID 16599585

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide (CID 26707982) is 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide is COc1cc(CCC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc(OC)c1.
What is the InChIKey of 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
The InChIKey is XBHHDJQMMVUKDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3N2O3/c1-25(2)18-7-6-14(20(21,22)23)11-17(18)24-19(26)8-5-13-9-15(27-3)12-16(10-13)28-4/h6-7,9-12H,5,8H2,1-4H3,(H,24,26).
What are the key properties of 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide?
3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide has a molecular weight of 396.41 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethoxyphenyl)-N-[2-(dimethylamino)-5-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 26707982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).