(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide

C20H24F3NO3 — CID 161363088

IUPAC(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide
SMILESC[C@](CC(N)=O)(CC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C20H24F3NO3/c1-19(10-18(24)26,14-5-6-14)9-16(25)13-4-7-15(12-2-3-12)17(8-13)27-11-20(21,22)23/h4,7-8,12,14H,2-3,5-6,9-11H2,1H3,(H2,24,26)/t19-/m1/s1
InChIKeyVPLHIWWLEUOTHW-LJQANCHMSA-N
MW383.41 g/mol
LogP4.37
Rot. Bonds9

About (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide

(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide (PubChem CID 161363088) has the molecular formula C20H24F3NO3 and a molecular weight of 383.41 g/mol. Its IUPAC name is (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide.

Molecular Properties

Compound Name(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide
PubChem CID161363088
Molecular FormulaC20H24F3NO3
Molecular Weight383.41 g/mol
Exact Mass383.17
IUPAC Name(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide
SMILESC[C@](CC(N)=O)(CC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)c1)C1CC1
InChIInChI=1S/C20H24F3NO3/c1-19(10-18(24)26,14-5-6-14)9-16(25)13-4-7-15(12-2-3-12)17(8-13)27-11-20(21,22)23/h4,7-8,12,14H,2-3,5-6,9-11H2,1H3,(H2,24,26)/t19-/m1/s1
InChIKeyVPLHIWWLEUOTHW-LJQANCHMSA-N
XLogP4.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide?
The IUPAC name of (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide (CID 161363088) is (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide.
What is the SMILES notation for (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide?
The canonical SMILES for (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide is C[C@](CC(N)=O)(CC(=O)c1ccc(C2CC2)c(OCC(F)(F)F)c1)C1CC1.
What is the InChIKey of (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide?
The InChIKey is VPLHIWWLEUOTHW-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24F3NO3/c1-19(10-18(24)26,14-5-6-14)9-16(25)13-4-7-15(12-2-3-12)17(8-13)27-11-20(21,22)23/h4,7-8,12,14H,2-3,5-6,9-11H2,1H3,(H2,24,26)/t19-/m1/s1.
What are the key properties of (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide?
(3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide has a molecular weight of 383.41 g/mol, XLogP of 4.37, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-cyclopropyl-5-[4-cyclopropyl-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-5-oxopentanamide is sourced from PubChem (CID 161363088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).