2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide

C₂₀H₃₂ClN₅O — CID 111324022

About 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide

2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide (PubChem CID 111324022) has the molecular formula C₂₀H₃₂ClN₅O and a molecular weight of 393.96 g/mol. Its IUPAC name is 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide.

Molecular Properties

• Compound Name: 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
• PubChem CID: 111324022
• Molecular Formula: C₂₀H₃₂ClN₅O
• Molecular Weight: 393.96 g/mol
• Exact Mass: 393.23
• IUPAC Name: 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide
• SMILES: CCN/C(=N\CC(=O)NC1CC1)NCC(c1ccccc1Cl)N(CC)CC
• InChI: InChI=1S/C20H32ClN5O/c1-4-22-20(24-14-19(27)25-15-11-12-15)23-13-18(26(5-2)6-3)16-9-7-8-10-17(16)21/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,25,27)(H2,22,23,24)
• InChIKey: XXQXMLOLCAJXFV-UHFFFAOYSA-N
• XLogP: 2.56
• TPSA: 68.76 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.96
LogP ≤ 5	2.56
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?

The IUPAC name of 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide (CID 111324022) is 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide.

What is the SMILES notation for 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?

The canonical SMILES for 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide is CCN/C(=N\CC(=O)NC1CC1)NCC(c1ccccc1Cl)N(CC)CC.

What is the InChIKey of 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?

The InChIKey is XXQXMLOLCAJXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32ClN5O/c1-4-22-20(24-14-19(27)25-15-11-12-15)23-13-18(26(5-2)6-3)16-9-7-8-10-17(16)21/h7-10,15,18H,4-6,11-14H2,1-3H3,(H,25,27)(H2,22,23,24).

What are the key properties of 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide?

2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide has a molecular weight of 393.96 g/mol, XLogP of 2.56, 10 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[[[2-(2-chlorophenyl)-2-(diethylamino)ethyl]amino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide is sourced from PubChem (CID 111324022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 111324022 — identifiers, structure, computed properties (public domain)

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