N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide

C19H22N2O5 — CID 24550219

About N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide

N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 24550219) has the molecular formula C19H22N2O5 and a molecular weight of 358.39 g/mol. Its IUPAC name is N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 24550219
• Molecular Formula: C19H22N2O5
• Molecular Weight: 358.39 g/mol
• Exact Mass: 358.15
• IUPAC Name: N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide
• SMILES: CCOc1cc2c(cc1CNC(=O)CNC(=O)c1ccco1)OC(C)C2
• InChI: InChI=1S/C19H22N2O5/c1-3-24-16-8-13-7-12(2)26-17(13)9-14(16)10-20-18(22)11-21-19(23)15-5-4-6-25-15/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,20,22)(H,21,23)
• InChIKey: NIBCXAQKHWSOQO-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 89.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.39
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide (CID 24550219) is N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide is CCOc1cc2c(cc1CNC(=O)CNC(=O)c1ccco1)OC(C)C2.

What is the InChIKey of N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is NIBCXAQKHWSOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O5/c1-3-24-16-8-13-7-12(2)26-17(13)9-14(16)10-20-18(22)11-21-19(23)15-5-4-6-25-15/h4-6,8-9,12H,3,7,10-11H2,1-2H3,(H,20,22)(H,21,23).

What are the key properties of N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide?

N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 358.39 g/mol, XLogP of 2.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 24550219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).