2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide

C23H29NO3 — CID 46090185

About 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide

2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide (PubChem CID 46090185) has the molecular formula C23H29NO3 and a molecular weight of 367.49 g/mol. Its IUPAC name is 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide.

Molecular Properties

• Compound Name: 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide
• PubChem CID: 46090185
• Molecular Formula: C23H29NO3
• Molecular Weight: 367.49 g/mol
• Exact Mass: 367.21
• IUPAC Name: 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide
• SMILES: CCCCC(CC)C(=O)NCC1Cc2cc(Oc3ccccc3)ccc2O1
• InChI: InChI=1S/C23H29NO3/c1-3-5-9-17(4-2)23(25)24-16-21-15-18-14-20(12-13-22(18)27-21)26-19-10-7-6-8-11-19/h6-8,10-14,17,21H,3-5,9,15-16H2,1-2H3,(H,24,25)
• InChIKey: KHZKQTNPDZPRQR-UHFFFAOYSA-N
• XLogP: 5.11
• TPSA: 47.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	367.49
LogP ≤ 5	5.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide?

The IUPAC name of 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide (CID 46090185) is 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide.

What is the SMILES notation for 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide?

The canonical SMILES for 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide is CCCCC(CC)C(=O)NCC1Cc2cc(Oc3ccccc3)ccc2O1.

What is the InChIKey of 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide?

The InChIKey is KHZKQTNPDZPRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO3/c1-3-5-9-17(4-2)23(25)24-16-21-15-18-14-20(12-13-22(18)27-21)26-19-10-7-6-8-11-19/h6-8,10-14,17,21H,3-5,9,15-16H2,1-2H3,(H,24,25).

What are the key properties of 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide?

2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide has a molecular weight of 367.49 g/mol, XLogP of 5.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethyl-N-[(5-phenoxy-2,3-dihydro-1-benzofuran-2-yl)methyl]hexanamide is sourced from PubChem (CID 46090185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).