2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

C₂₃H₂₇N₃O₃ — CID 51046705

About 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 51046705) has the molecular formula C₂₃H₂₇N₃O₃ and a molecular weight of 393.49 g/mol. Its IUPAC name is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
• PubChem CID: 51046705
• Molecular Formula: C₂₃H₂₇N₃O₃
• Molecular Weight: 393.49 g/mol
• Exact Mass: 393.21
• IUPAC Name: 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide
• SMILES: CCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O
• InChI: InChI=1S/C23H27N3O3/c1-5-16(4)26-22(28)19-8-6-7-9-20(19)25(23(26)29)14-21(27)24-18-12-10-17(11-13-18)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,24,27)
• InChIKey: FVDQNMROFBTNQM-UHFFFAOYSA-N
• XLogP: 3.90
• TPSA: 73.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.49
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide (CID 51046705) is 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is CCC(C)n1c(=O)c2ccccc2n(CC(=O)Nc2ccc(C(C)C)cc2)c1=O.

What is the InChIKey of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?

The InChIKey is FVDQNMROFBTNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-16(4)26-22(28)19-8-6-7-9-20(19)25(23(26)29)14-21(27)24-18-12-10-17(11-13-18)15(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,24,27).

What are the key properties of 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide?

2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-butan-2-yl-2,4-dioxoquinazolin-1-yl)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 51046705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 51046705 — identifiers, structure, computed properties (public domain)

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