N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide

C30H31F3N2O — CID 66590279

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

N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide (PubChem CID 66590279) has the molecular formula C30H31F3N2O and a molecular weight of 492.59 g/mol. Its IUPAC name is N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide.

Molecular Properties

• Compound Name: N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide
• PubChem CID: 66590279
• Molecular Formula: C30H31F3N2O
• Molecular Weight: 492.59 g/mol
• Exact Mass: 492.24
• IUPAC Name: N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide
• SMILES: O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21
• InChI: InChI=1S/C30H31F3N2O/c31-30(32,33)25-13-7-8-21(16-25)18-35-19-24-14-15-28(27(24)20-35)34-29(36)17-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,16,24,26-28H,14-15,17-20H2,(H,34,36)/t24-,27+,28-/m0/s1
• InChIKey: OTMWNVLRTPAUDW-VCTRFXNDSA-N
• XLogP: 6.25
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.59
LogP ≤ 5	6.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide?

The IUPAC name of N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide (CID 66590279) is N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide.

What is the SMILES notation for N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide?

The canonical SMILES for N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide is O=C(CC(c1ccccc1)c1ccccc1)N[C@H]1CC[C@H]2CN(Cc3cccc(C(F)(F)F)c3)C[C@H]21.

What is the InChIKey of N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide?

The InChIKey is OTMWNVLRTPAUDW-VCTRFXNDSA-N. The full InChI is InChI=1S/C30H31F3N2O/c31-30(32,33)25-13-7-8-21(16-25)18-35-19-24-14-15-28(27(24)20-35)34-29(36)17-26(22-9-3-1-4-10-22)23-11-5-2-6-12-23/h1-13,16,24,26-28H,14-15,17-20H2,(H,34,36)/t24-,27+,28-/m0/s1.

What are the key properties of N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide?

N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide has a molecular weight of 492.59 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aS,4S,6aR)-2-[[3-(trifluoromethyl)phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]-3,3-diphenylpropanamide is sourced from PubChem (CID 66590279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).