2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

C₁₈H₂₃N₃O₄ — CID 121119506

About 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (PubChem CID 121119506) has the molecular formula C₁₈H₂₃N₃O₄ and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
• PubChem CID: 121119506
• Molecular Formula: C₁₈H₂₃N₃O₄
• Molecular Weight: 345.40 g/mol
• Exact Mass: 345.17
• IUPAC Name: 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide
• SMILES: CCc1cc(=O)n(CCNC(=O)Cc2ccc(OC)c(OC)c2)cn1
• InChI: InChI=1S/C18H23N3O4/c1-4-14-11-18(23)21(12-20-14)8-7-19-17(22)10-13-5-6-15(24-2)16(9-13)25-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,22)
• InChIKey: XCBINPJFKMECOK-UHFFFAOYSA-N
• XLogP: 1.18
• TPSA: 82.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.40
LogP ≤ 5	1.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?

The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide (CID 121119506) is 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide.

What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?

The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is CCc1cc(=O)n(CCNC(=O)Cc2ccc(OC)c(OC)c2)cn1.

What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?

The InChIKey is XCBINPJFKMECOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4/c1-4-14-11-18(23)21(12-20-14)8-7-19-17(22)10-13-5-6-15(24-2)16(9-13)25-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,22).

What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide?

2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 1.18, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethoxyphenyl)-N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]acetamide is sourced from PubChem (CID 121119506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 121119506 — identifiers, structure, computed properties (public domain)

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