3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide

C18H24F3NO3 — CID 43046784

IUPAC3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCCC2C(F)(F)F)cc1OC
InChIInChI=1S/C18H24F3NO3/c1-24-15-9-7-12(11-16(15)25-2)8-10-17(23)22-14-6-4-3-5-13(14)18(19,20)21/h7,9,11,13-14H,3-6,8,10H2,1-2H3,(H,22,23)
InChIKeyHHCZJOWVCSCUBG-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.87
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide (PubChem CID 43046784) has the molecular formula C18H24F3NO3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
PubChem CID43046784
Molecular FormulaC18H24F3NO3
Molecular Weight359.39 g/mol
Exact Mass359.17
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide
SMILESCOc1ccc(CCC(=O)NC2CCCCC2C(F)(F)F)cc1OC
InChIInChI=1S/C18H24F3NO3/c1-24-15-9-7-12(11-16(15)25-2)8-10-17(23)22-14-6-4-3-5-13(14)18(19,20)21/h7,9,11,13-14H,3-6,8,10H2,1-2H3,(H,22,23)
InChIKeyHHCZJOWVCSCUBG-UHFFFAOYSA-N
XLogP3.87
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3-(3,4-dimethoxyphenyl)propanamide;hydrochloride
CID 119612216
3-(3,4-dimethoxyphenyl)-N-[2-[(dimethylamino)methyl]cyclohexyl]propanamide
CID 110279159
3,4-dimethoxy-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]benzamide
CID 35232205
2-(4-methoxyphenyl)-N-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]acetamide
CID 36813059
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-[2-(trifluoromethyl)cyclohexyl]pyrrolidine-3-carboxamide
CID 55533588
3-(3,4-dimethoxyphenyl)-N-(8-tricyclo[5.2.1.02,6]decanyl)propanamide
CID 43063113
N-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]-2-(2,3,4-trimethoxyphenyl)acetamide
CID 25494679
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110407029
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
N-(2-aminocyclohexyl)-2-(3,4-dimethoxyphenyl)acetamide
CID 61037756
N-[2-(aminomethyl)cyclopentyl]-3-(3-bromo-4-methoxyphenyl)propanamide
CID 119601994

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide (CID 43046784) is 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide is COc1ccc(CCC(=O)NC2CCCCC2C(F)(F)F)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
The InChIKey is HHCZJOWVCSCUBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO3/c1-24-15-9-7-12(11-16(15)25-2)8-10-17(23)22-14-6-4-3-5-13(14)18(19,20)21/h7,9,11,13-14H,3-6,8,10H2,1-2H3,(H,22,23).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide has a molecular weight of 359.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-[2-(trifluoromethyl)cyclohexyl]propanamide is sourced from PubChem (CID 43046784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).