2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide

C₂₀H₂₄N₄O₃ — CID 46583938

About 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide

2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 46583938) has the molecular formula C₂₀H₂₄N₄O₃ and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
• PubChem CID: 46583938
• Molecular Formula: C₂₀H₂₄N₄O₃
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.18
• IUPAC Name: 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide
• SMILES: Cc1ccc(C(=O)NNC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1
• InChI: InChI=1S/C20H24N4O3/c1-12-5-7-16(8-6-12)19(26)23-24-20(27)21-11-17(25)22-18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3,(H,22,25)(H,23,26)(H2,21,24,27)
• InChIKey: QFMVFCVWEGJSLH-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 99.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?

The IUPAC name of 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide (CID 46583938) is 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide.

What is the SMILES notation for 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?

The canonical SMILES for 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide is Cc1ccc(C(=O)NNC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)cc1.

What is the InChIKey of 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?

The InChIKey is QFMVFCVWEGJSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-12-5-7-16(8-6-12)19(26)23-24-20(27)21-11-17(25)22-18-14(3)9-13(2)10-15(18)4/h5-10H,11H2,1-4H3,(H,22,25)(H,23,26)(H2,21,24,27).

What are the key properties of 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide?

2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 368.44 g/mol, XLogP of 2.50, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(4-methylbenzoyl)amino]carbamoylamino]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 46583938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 46583938 — identifiers, structure, computed properties (public domain)

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