3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide

C19H20F3NO3 — CID 52583631

IUPAC3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2cccc(OCC(F)(F)F)c2)cc1C
InChIInChI=1S/C19H20F3NO3/c1-13-6-7-17(10-14(13)2)25-9-8-18(24)23-15-4-3-5-16(11-15)26-12-19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyTVVQZZYLGGUGCW-UHFFFAOYSA-N
MW367.37 g/mol
LogP4.65
Rot. Bonds7

About 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide

3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide (PubChem CID 52583631) has the molecular formula C19H20F3NO3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
PubChem CID52583631
Molecular FormulaC19H20F3NO3
Molecular Weight367.37 g/mol
Exact Mass367.14
IUPAC Name3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
SMILESCc1ccc(OCCC(=O)Nc2cccc(OCC(F)(F)F)c2)cc1C
InChIInChI=1S/C19H20F3NO3/c1-13-6-7-17(10-14(13)2)25-9-8-18(24)23-15-4-3-5-16(11-15)26-12-19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24)
InChIKeyTVVQZZYLGGUGCW-UHFFFAOYSA-N
XLogP4.65
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]pentanamide
CID 120560452
4-oxo-4-phenyl-N-[3-(2,2,2-trifluoroethoxy)phenyl]butanamide
CID 55654482
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
1-(2-hydroxyethyl)-3-[3-(2,2,2-trifluoroethoxy)phenyl]urea
CID 47237417
(2S)-2-amino-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide
CID 119291435
2-(3,4-dimethylanilino)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 54811716
3-(2,5-dimethylphenoxy)-N-(3-methoxyphenyl)propanamide
CID 26914656
3-(3,4-dimethylphenoxy)-N-(2-ethylphenyl)propanamide
CID 39992819
N-(3-ethoxyphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87027979
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322
N-[3-[3-(dimethylamino)propoxy]phenyl]-4-(methylamino)butanamide
CID 119885809
[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate
CID 17342012

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The IUPAC name of 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide (CID 52583631) is 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The canonical SMILES for 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide is Cc1ccc(OCCC(=O)Nc2cccc(OCC(F)(F)F)c2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
The InChIKey is TVVQZZYLGGUGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO3/c1-13-6-7-17(10-14(13)2)25-9-8-18(24)23-15-4-3-5-16(11-15)26-12-19(20,21)22/h3-7,10-11H,8-9,12H2,1-2H3,(H,23,24).
What are the key properties of 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide?
3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide has a molecular weight of 367.37 g/mol, XLogP of 4.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenoxy)-N-[3-(2,2,2-trifluoroethoxy)phenyl]propanamide is sourced from PubChem (CID 52583631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).