3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide

C22H26F3NO3 — CID 52514675

IUPAC3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
SMILESCCC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3NO3/c1-4-6-18(16-7-5-8-17(14-16)22(23,24)25)26-21(27)12-10-15-9-11-19(28-2)20(13-15)29-3/h5,7-9,11,13-14,18H,4,6,10,12H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyHSXQZVZVJCSPQM-GOSISDBHSA-N
MW409.45 g/mol
LogP5.31
Rot. Bonds9

About 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide

3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide (PubChem CID 52514675) has the molecular formula C22H26F3NO3 and a molecular weight of 409.45 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
PubChem CID52514675
Molecular FormulaC22H26F3NO3
Molecular Weight409.45 g/mol
Exact Mass409.19
IUPAC Name3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
SMILESCCC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C22H26F3NO3/c1-4-6-18(16-7-5-8-17(14-16)22(23,24)25)26-21(27)12-10-15-9-11-19(28-2)20(13-15)29-3/h5,7-9,11,13-14,18H,4,6,10,12H2,1-3H3,(H,26,27)/t18-/m1/s1
InChIKeyHSXQZVZVJCSPQM-GOSISDBHSA-N
XLogP5.31
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.45
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 52523148
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
CID 56823666
(3S)-3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 51519338
3-[3-(3,4-dimethoxyphenyl)propanoylamino]-3-phenylpropanoic acid
CID 45461382
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
3-(4-tert-butylphenyl)-N-[1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 132657824
(2R)-2-[3-(3,4-dimethoxyphenyl)propanoylamino]-2-phenylacetic acid
CID 119367699
3-(3,4-dimethoxyphenyl)-N-propan-2-ylpropanamide
CID 19220709
3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
CID 52513780
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
N-[(1R)-2-amino-2-oxo-1-phenylethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 51492377
3-(3,4-dichlorophenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100597392

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide (CID 52514675) is 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide is CCC[C@@H](NC(=O)CCc1ccc(OC)c(OC)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide?
The InChIKey is HSXQZVZVJCSPQM-GOSISDBHSA-N. The full InChI is InChI=1S/C22H26F3NO3/c1-4-6-18(16-7-5-8-17(14-16)22(23,24)25)26-21(27)12-10-15-9-11-19(28-2)20(13-15)29-3/h5,7-9,11,13-14,18H,4,6,10,12H2,1-3H3,(H,26,27)/t18-/m1/s1.
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide?
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide has a molecular weight of 409.45 g/mol, XLogP of 5.31, 9 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-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide is sourced from PubChem (CID 52514675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).