1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide

C₁₈H₂₅N₃O₄ — CID 108972809

About 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide

1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide (PubChem CID 108972809) has the molecular formula C₁₈H₂₅N₃O₄ and a molecular weight of 347.42 g/mol. Its IUPAC name is 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

• Compound Name: 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
• PubChem CID: 108972809
• Molecular Formula: C₁₈H₂₅N₃O₄
• Molecular Weight: 347.42 g/mol
• Exact Mass: 347.18
• IUPAC Name: 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide
• SMILES: COCCNC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1
• InChI: InChI=1S/C18H25N3O4/c1-24-11-8-19-16(22)18(6-7-18)17(23)20-14-4-2-3-5-15(14)21-9-12-25-13-10-21/h2-5H,6-13H2,1H3,(H,19,22)(H,20,23)
• InChIKey: POICROZHQKSBJU-UHFFFAOYSA-N
• XLogP: 1.00
• TPSA: 79.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	347.42
LogP ≤ 5	1.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide (CID 108972809) is 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide.

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

The canonical SMILES for 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide is COCCNC(=O)C1(C(=O)Nc2ccccc2N2CCOCC2)CC1.

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

The InChIKey is POICROZHQKSBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-24-11-8-19-16(22)18(6-7-18)17(23)20-14-4-2-3-5-15(14)21-9-12-25-13-10-21/h2-5H,6-13H2,1H3,(H,19,22)(H,20,23).

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

1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 347.42 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-N-(2-methoxyethyl)-1-N'-(2-morpholin-4-ylphenyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 108972809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 108972809 — identifiers, structure, computed properties (public domain)

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