N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid

C30H37F3N2O4 — CID 155864634

About N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid

N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155864634) has the molecular formula C30H37F3N2O4 and a molecular weight of 546.63 g/mol. Its IUPAC name is N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155864634
• Molecular Formula: C30H37F3N2O4
• Molecular Weight: 546.63 g/mol
• Exact Mass: 546.27
• IUPAC Name: N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid
• SMILES: CC(C)c1ccc(CN2C[C@@H]3[C@H](NC(=O)CC4CCOCC4)c4ccccc4[C@@H]3C2)cc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H36N2O2.C2HF3O2/c1-19(2)22-9-7-21(8-10-22)16-30-17-25-23-5-3-4-6-24(23)28(26(25)18-30)29-27(31)15-20-11-13-32-14-12-20;3-2(4,5)1(6)7/h3-10,19-20,25-26,28H,11-18H2,1-2H3,(H,29,31);(H,6,7)/t25-,26-,28+;/m0./s1
• InChIKey: UYTZQIUMZJWKEP-RDECPSQISA-N
• XLogP: 5.65
• TPSA: 78.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.63
LogP ≤ 5	5.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid (CID 155864634) is N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid is CC(C)c1ccc(CN2C[C@@H]3[C@H](NC(=O)CC4CCOCC4)c4ccccc4[C@@H]3C2)cc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is UYTZQIUMZJWKEP-RDECPSQISA-N. The full InChI is InChI=1S/C28H36N2O2.C2HF3O2/c1-19(2)22-9-7-21(8-10-22)16-30-17-25-23-5-3-4-6-24(23)28(26(25)18-30)29-27(31)15-20-11-13-32-14-12-20;3-2(4,5)1(6)7/h3-10,19-20,25-26,28H,11-18H2,1-2H3,(H,29,31);(H,6,7)/t25-,26-,28+;/m0./s1.

What are the key properties of N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid?

N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 546.63 g/mol, XLogP of 5.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3aR,4S,8bR)-2-[(4-propan-2-ylphenyl)methyl]-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]pyrrol-4-yl]-2-(oxan-4-yl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155864634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).