2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide

C31H39N3O2 — CID 69147141

About 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide

2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide (PubChem CID 69147141) has the molecular formula C31H39N3O2 and a molecular weight of 485.67 g/mol. Its IUPAC name is 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide
• PubChem CID: 69147141
• Molecular Formula: C31H39N3O2
• Molecular Weight: 485.67 g/mol
• Exact Mass: 485.30
• IUPAC Name: 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide
• SMILES: Cc1cccc(C)c1C(=O)N1C=C2CN(CC[C@H](NC(=O)CC3CCCC3)c3ccccc3)CC2C1
• InChI: InChI=1S/C31H39N3O2/c1-22-9-8-10-23(2)30(22)31(36)34-20-26-18-33(19-27(26)21-34)16-15-28(25-13-4-3-5-14-25)32-29(35)17-24-11-6-7-12-24/h3-5,8-10,13-14,20,24,27-28H,6-7,11-12,15-19,21H2,1-2H3,(H,32,35)/t27?,28-/m0/s1
• InChIKey: UMSHELQSYCWKTC-CPRJBALCSA-N
• XLogP: 5.40
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	485.67
LogP ≤ 5	5.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide?

The IUPAC name of 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide (CID 69147141) is 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide.

What is the SMILES notation for 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide?

The canonical SMILES for 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide is Cc1cccc(C)c1C(=O)N1C=C2CN(CC[C@H](NC(=O)CC3CCCC3)c3ccccc3)CC2C1.

What is the InChIKey of 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide?

The InChIKey is UMSHELQSYCWKTC-CPRJBALCSA-N. The full InChI is InChI=1S/C31H39N3O2/c1-22-9-8-10-23(2)30(22)31(36)34-20-26-18-33(19-27(26)21-34)16-15-28(25-13-4-3-5-14-25)32-29(35)17-24-11-6-7-12-24/h3-5,8-10,13-14,20,24,27-28H,6-7,11-12,15-19,21H2,1-2H3,(H,32,35)/t27?,28-/m0/s1.

What are the key properties of 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide?

2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide has a molecular weight of 485.67 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopentyl-N-[(1S)-3-[5-(2,6-dimethylbenzoyl)-1,3,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]acetamide is sourced from PubChem (CID 69147141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).