4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide

C₂₀H₂₇N₃O₂ — CID 119739177

About 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide

4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide (PubChem CID 119739177) has the molecular formula C₂₀H₂₇N₃O₂ and a molecular weight of 341.46 g/mol. Its IUPAC name is 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide.

Molecular Properties

• Compound Name: 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
• PubChem CID: 119739177
• Molecular Formula: C₂₀H₂₇N₃O₂
• Molecular Weight: 341.46 g/mol
• Exact Mass: 341.21
• IUPAC Name: 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide
• SMILES: C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1
• InChI: InChI=1S/C20H27N3O2/c1-3-12-23(13-4-2)20(25)15-8-10-18(11-9-15)22-19(24)16-6-5-7-17(21)14-16/h3-4,8-11,16-17H,1-2,5-7,12-14,21H2,(H,22,24)
• InChIKey: MONJCDRXJILAQD-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 75.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.46
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?

The IUPAC name of 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide (CID 119739177) is 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide.

What is the SMILES notation for 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?

The canonical SMILES for 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide is C=CCN(CC=C)C(=O)c1ccc(NC(=O)C2CCCC(N)C2)cc1.

What is the InChIKey of 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?

The InChIKey is MONJCDRXJILAQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-12-23(13-4-2)20(25)15-8-10-18(11-9-15)22-19(24)16-6-5-7-17(21)14-16/h3-4,8-11,16-17H,1-2,5-7,12-14,21H2,(H,22,24).

What are the key properties of 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide?

4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide has a molecular weight of 341.46 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3-aminocyclohexanecarbonyl)amino]-N,N-bis(prop-2-enyl)benzamide is sourced from PubChem (CID 119739177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 119739177 — identifiers, structure, computed properties (public domain)

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