2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide

C23H33F3N2O — CID 66590415

IUPAC2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide
SMILESCCCC(CCC)C(=O)NC1CCC2CN(Cc3cccc(C(F)(F)F)c3)CC21
InChIInChI=1S/C23H33F3N2O/c1-3-6-17(7-4-2)22(29)27-21-11-10-18-14-28(15-20(18)21)13-16-8-5-9-19(12-16)23(24,25)26/h5,8-9,12,17-18,20-21H,3-4,6-7,10-11,13-15H2,1-2H3,(H,27,29)
InChIKeyUVQBVPXKEBCYIC-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.25
Rot. Bonds8

About 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide

2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide (PubChem CID 66590415) has the molecular formula C23H33F3N2O and a molecular weight of 410.52 g/mol. Its IUPAC name is 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide.

Molecular Properties

Compound Name2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide
PubChem CID66590415
Molecular FormulaC23H33F3N2O
Molecular Weight410.52 g/mol
Exact Mass410.25
IUPAC Name2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide
SMILESCCCC(CCC)C(=O)NC1CCC2CN(Cc3cccc(C(F)(F)F)c3)CC21
InChIInChI=1S/C23H33F3N2O/c1-3-6-17(7-4-2)22(29)27-21-11-10-18-14-28(15-20(18)21)13-16-8-5-9-19(12-16)23(24,25)26/h5,8-9,12,17-18,20-21H,3-4,6-7,10-11,13-15H2,1-2H3,(H,27,29)
InChIKeyUVQBVPXKEBCYIC-UHFFFAOYSA-N
XLogP5.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide?
The IUPAC name of 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide (CID 66590415) is 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide.
What is the SMILES notation for 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide?
The canonical SMILES for 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide is CCCC(CCC)C(=O)NC1CCC2CN(Cc3cccc(C(F)(F)F)c3)CC21.
What is the InChIKey of 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide?
The InChIKey is UVQBVPXKEBCYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33F3N2O/c1-3-6-17(7-4-2)22(29)27-21-11-10-18-14-28(15-20(18)21)13-16-8-5-9-19(12-16)23(24,25)26/h5,8-9,12,17-18,20-21H,3-4,6-7,10-11,13-15H2,1-2H3,(H,27,29).
What are the key properties of 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide?
2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide has a molecular weight of 410.52 g/mol, XLogP of 5.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]pentanamide is sourced from PubChem (CID 66590415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).