N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide

C32H43N3O2 — CID 90851082

About N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide

N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide (PubChem CID 90851082) has the molecular formula C32H43N3O2 and a molecular weight of 501.72 g/mol. Its IUPAC name is N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide.

Molecular Properties

• Compound Name: N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
• PubChem CID: 90851082
• Molecular Formula: C32H43N3O2
• Molecular Weight: 501.72 g/mol
• Exact Mass: 501.34
• IUPAC Name: N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide
• SMILES: Cc1cccc(C)c1C(=O)N1CC2(C)CN(CCC(NC(=O)C3CCCC3)c3ccccc3)C[C@@]2(C)C1
• InChI: InChI=1S/C32H43N3O2/c1-23-11-10-12-24(2)28(23)30(37)35-21-31(3)19-34(20-32(31,4)22-35)18-17-27(25-13-6-5-7-14-25)33-29(36)26-15-8-9-16-26/h5-7,10-14,26-27H,8-9,15-22H2,1-4H3,(H,33,36)/t27?,31-,32?/m0/s1
• InChIKey: JSLSJEGYBLGLDI-IUEVIEPZSA-N
• XLogP: 5.53
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.72
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide (CID 90851082) is N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide.

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

The canonical SMILES for N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide is Cc1cccc(C)c1C(=O)N1CC2(C)CN(CCC(NC(=O)C3CCCC3)c3ccccc3)C[C@@]2(C)C1.

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

The InChIKey is JSLSJEGYBLGLDI-IUEVIEPZSA-N. The full InChI is InChI=1S/C32H43N3O2/c1-23-11-10-12-24(2)28(23)30(37)35-21-31(3)19-34(20-32(31,4)22-35)18-17-27(25-13-6-5-7-14-25)33-29(36)26-15-8-9-16-26/h5-7,10-14,26-27H,8-9,15-22H2,1-4H3,(H,33,36)/t27?,31-,32?/m0/s1.

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

N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide has a molecular weight of 501.72 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(3aS)-5-(2,6-dimethylbenzoyl)-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrol-2-yl]-1-phenylpropyl]cyclopentanecarboxamide is sourced from PubChem (CID 90851082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).