N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide

C20H22F3NO2 — CID 97417766

IUPACN-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1C
InChIInChI=1S/C20H22F3NO2/c1-14-5-3-4-6-17(14)18(26-2)13-24-19(25)12-9-15-7-10-16(11-8-15)20(21,22)23/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyGVHLIRSGOMZTPG-SFHVURJKSA-N
MW365.40 g/mol
LogP4.45
Rot. Bonds7

About N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide

N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide (PubChem CID 97417766) has the molecular formula C20H22F3NO2 and a molecular weight of 365.40 g/mol. Its IUPAC name is N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
PubChem CID97417766
Molecular FormulaC20H22F3NO2
Molecular Weight365.40 g/mol
Exact Mass365.16
IUPAC NameN-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide
SMILESCO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1C
InChIInChI=1S/C20H22F3NO2/c1-14-5-3-4-6-17(14)18(26-2)13-24-19(25)12-9-15-7-10-16(11-8-15)20(21,22)23/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,24,25)/t18-/m0/s1
InChIKeyGVHLIRSGOMZTPG-SFHVURJKSA-N
XLogP4.45
TPSA38.33 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 ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide (CID 97417766) is N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide is CO[C@@H](CNC(=O)CCc1ccc(C(F)(F)F)cc1)c1ccccc1C.
What is the InChIKey of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
The InChIKey is GVHLIRSGOMZTPG-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22F3NO2/c1-14-5-3-4-6-17(14)18(26-2)13-24-19(25)12-9-15-7-10-16(11-8-15)20(21,22)23/h3-8,10-11,18H,9,12-13H2,1-2H3,(H,24,25)/t18-/m0/s1.
What are the key properties of N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide?
N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide has a molecular weight of 365.40 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-[4-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 97417766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).