N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

C23H26N2O5 — CID 9399693

About N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (PubChem CID 9399693) has the molecular formula C23H26N2O5 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

Molecular Properties

• Compound Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
• PubChem CID: 9399693
• Molecular Formula: C23H26N2O5
• Molecular Weight: 410.47 g/mol
• Exact Mass: 410.18
• IUPAC Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
• SMILES: CCOc1cc2c(cc1CNC(=O)CCCn1c(=O)oc3ccccc31)O[C@H](C)C2
• InChI: InChI=1S/C23H26N2O5/c1-3-28-20-12-16-11-15(2)29-21(16)13-17(20)14-24-22(26)9-6-10-25-18-7-4-5-8-19(18)30-23(25)27/h4-5,7-8,12-13,15H,3,6,9-11,14H2,1-2H3,(H,24,26)/t15-/m1/s1
• InChIKey: PXQOBSASNWRJRV-OAHLLOKOSA-N
• XLogP: 3.41
• TPSA: 82.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.47
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?

The IUPAC name of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide (CID 9399693) is N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide.

What is the SMILES notation for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?

The canonical SMILES for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is CCOc1cc2c(cc1CNC(=O)CCCn1c(=O)oc3ccccc31)O[C@H](C)C2.

What is the InChIKey of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?

The InChIKey is PXQOBSASNWRJRV-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26N2O5/c1-3-28-20-12-16-11-15(2)29-21(16)13-17(20)14-24-22(26)9-6-10-25-18-7-4-5-8-19(18)30-23(25)27/h4-5,7-8,12-13,15H,3,6,9-11,14H2,1-2H3,(H,24,26)/t15-/m1/s1.

What are the key properties of N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide?

N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide has a molecular weight of 410.47 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide is sourced from PubChem (CID 9399693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).