1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

C₁₉H₂₇N₃O₂ — CID 108971320

About 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108971320) has the molecular formula C₁₉H₂₇N₃O₂ and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 108971320
• Molecular Formula: C₁₉H₂₇N₃O₂
• Molecular Weight: 329.44 g/mol
• Exact Mass: 329.21
• IUPAC Name: 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide
• SMILES: CC(C)CNC(=O)C1(C(=O)Nc2ccc(N3CCCC3)cc2)CC1
• InChI: InChI=1S/C19H27N3O2/c1-14(2)13-20-17(23)19(9-10-19)18(24)21-15-5-7-16(8-6-15)22-11-3-4-12-22/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,23)(H,21,24)
• InChIKey: BRRCSFDAVFSODV-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 61.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	329.44
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?

The IUPAC name of 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108971320) is 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide.

What is the SMILES notation for 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?

The canonical SMILES for 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is CC(C)CNC(=O)C1(C(=O)Nc2ccc(N3CCCC3)cc2)CC1.

What is the InChIKey of 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?

The InChIKey is BRRCSFDAVFSODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-14(2)13-20-17(23)19(9-10-19)18(24)21-15-5-7-16(8-6-15)22-11-3-4-12-22/h5-8,14H,3-4,9-13H2,1-2H3,(H,20,23)(H,21,24).

What are the key properties of 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide?

1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 329.44 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(2-methylpropyl)-1-N'-(4-pyrrolidin-1-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108971320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 108971320 — identifiers, structure, computed properties (public domain)

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