N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

C18H24N2O4 — CID 9400409

About N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (PubChem CID 9400409) has the molecular formula C18H24N2O4 and a molecular weight of 332.40 g/mol. Its IUPAC name is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

Molecular Properties

• Compound Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
• PubChem CID: 9400409
• Molecular Formula: C18H24N2O4
• Molecular Weight: 332.40 g/mol
• Exact Mass: 332.17
• IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
• SMILES: CCOc1cc2c(cc1CNC(=O)CN1CCCC1=O)O[C@@H](C)C2
• InChI: InChI=1S/C18H24N2O4/c1-3-23-15-8-13-7-12(2)24-16(13)9-14(15)10-19-17(21)11-20-6-4-5-18(20)22/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,21)/t12-/m0/s1
• InChIKey: RDRLJZFEXUTEFO-LBPRGKRZSA-N
• XLogP: 1.65
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	332.40
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?

The IUPAC name of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide (CID 9400409) is N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide.

What is the SMILES notation for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?

The canonical SMILES for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is CCOc1cc2c(cc1CNC(=O)CN1CCCC1=O)O[C@@H](C)C2.

What is the InChIKey of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?

The InChIKey is RDRLJZFEXUTEFO-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H24N2O4/c1-3-23-15-8-13-7-12(2)24-16(13)9-14(15)10-19-17(21)11-20-6-4-5-18(20)22/h8-9,12H,3-7,10-11H2,1-2H3,(H,19,21)/t12-/m0/s1.

What are the key properties of N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide?

N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide has a molecular weight of 332.40 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(2-oxopyrrolidin-1-yl)acetamide is sourced from PubChem (CID 9400409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).