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

C22H24N2O4 — CID 27901598

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

N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 27901598) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

• Compound Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
• PubChem CID: 27901598
• Molecular Formula: C22H24N2O4
• Molecular Weight: 380.44 g/mol
• Exact Mass: 380.17
• IUPAC Name: N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
• SMILES: CCOc1cc2c(cc1NC(=O)c1cccc(N3CCCC3=O)c1)O[C@@H](C)C2
• InChI: InChI=1S/C22H24N2O4/c1-3-27-20-12-16-10-14(2)28-19(16)13-18(20)23-22(26)15-6-4-7-17(11-15)24-9-5-8-21(24)25/h4,6-7,11-14H,3,5,8-10H2,1-2H3,(H,23,26)/t14-/m0/s1
• InChIKey: PBFQLXNKUUQLHF-AWEZNQCLSA-N
• XLogP: 3.79
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.44
LogP ≤ 5	3.79
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]-3-(2-oxopyrrolidin-1-yl)benzamide?

The IUPAC name of N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 27901598) is N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide.

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

The canonical SMILES for N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide is CCOc1cc2c(cc1NC(=O)c1cccc(N3CCCC3=O)c1)O[C@@H](C)C2.

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

The InChIKey is PBFQLXNKUUQLHF-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-3-27-20-12-16-10-14(2)28-19(16)13-18(20)23-22(26)15-6-4-7-17(11-15)24-9-5-8-21(24)25/h4,6-7,11-14H,3,5,8-10H2,1-2H3,(H,23,26)/t14-/m0/s1.

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

N-[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 380.44 g/mol, XLogP of 3.79, 5 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]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 27901598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).