3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide

C20H22F3NO2 — CID 69343275

IUPAC3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOC(C)Cc1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3NO2/c1-13(26-2)10-14-6-8-15(9-7-14)11-18(19(24)25)16-4-3-5-17(12-16)20(21,22)23/h3-9,12-13,18H,10-11H2,1-2H3,(H2,24,25)
InChIKeyPKCJMPPRBKJYBM-UHFFFAOYSA-N
MW365.40 g/mol
LogP4.09
Rot. Bonds7

About 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide

3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (PubChem CID 69343275) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
PubChem CID69343275
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC Name3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide
SMILESCOC(C)Cc1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C20H22F3NO2/c1-13(26-2)10-14-6-8-15(9-7-14)11-18(19(24)25)16-4-3-5-17(12-16)20(21,22)23/h3-9,12-13,18H,10-11H2,1-2H3,(H2,24,25)
InChIKeyPKCJMPPRBKJYBM-UHFFFAOYSA-N
XLogP4.09
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.40
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide (CID 69343275) is 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is COC(C)Cc1ccc(CC(C(N)=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
The InChIKey is PKCJMPPRBKJYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-13(26-2)10-14-6-8-15(9-7-14)11-18(19(24)25)16-4-3-5-17(12-16)20(21,22)23/h3-9,12-13,18H,10-11H2,1-2H3,(H2,24,25).
What are the key properties of 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide?
3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide has a molecular weight of 365.40 g/mol, XLogP of 4.09, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methoxypropyl)phenyl]-2-[3-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 69343275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).