N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

C21H21NO5 — CID 26006243

About N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 26006243) has the molecular formula C21H21NO5 and a molecular weight of 367.40 g/mol. Its IUPAC name is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
• PubChem CID: 26006243
• Molecular Formula: C21H21NO5
• Molecular Weight: 367.40 g/mol
• Exact Mass: 367.14
• IUPAC Name: N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
• SMILES: CCOc1ccc2oc(C(=O)NC[C@H]3COc4ccccc4O3)c(C)c2c1
• InChI: InChI=1S/C21H21NO5/c1-3-24-14-8-9-17-16(10-14)13(2)20(27-17)21(23)22-11-15-12-25-18-6-4-5-7-19(18)26-15/h4-10,15H,3,11-12H2,1-2H3,(H,22,23)/t15-/m0/s1
• InChIKey: OBFOVYDZBAPLBB-HNNXBMFYSA-N
• XLogP: 3.71
• TPSA: 69.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.40
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?

The IUPAC name of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 26006243) is N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

What is the SMILES notation for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?

The canonical SMILES for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NC[C@H]3COc4ccccc4O3)c(C)c2c1.

What is the InChIKey of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?

The InChIKey is OBFOVYDZBAPLBB-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H21NO5/c1-3-24-14-8-9-17-16(10-14)13(2)20(27-17)21(23)22-11-15-12-25-18-6-4-5-7-19(18)26-15/h4-10,15H,3,11-12H2,1-2H3,(H,22,23)/t15-/m0/s1.

What are the key properties of N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?

N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 367.40 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 26006243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).