N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide

C23H30N2O3 — CID 90557965

About N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 90557965) has the molecular formula C23H30N2O3 and a molecular weight of 382.50 g/mol. Its IUPAC name is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

• Compound Name: N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
• PubChem CID: 90557965
• Molecular Formula: C23H30N2O3
• Molecular Weight: 382.50 g/mol
• Exact Mass: 382.23
• IUPAC Name: N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide
• SMILES: CC(C)c1ccc(OCC(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)cc1
• InChI: InChI=1S/C23H30N2O3/c1-16(2)17-5-8-20(9-6-17)28-15-23(26)24-14-21(25(3)4)18-7-10-22-19(13-18)11-12-27-22/h5-10,13,16,21H,11-12,14-15H2,1-4H3,(H,24,26)
• InChIKey: MSHTVQNGFDSCLZ-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.50
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide?

The IUPAC name of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide (CID 90557965) is N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide.

What is the SMILES notation for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide?

The canonical SMILES for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)NCC(c2ccc3c(c2)CCO3)N(C)C)cc1.

What is the InChIKey of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide?

The InChIKey is MSHTVQNGFDSCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3/c1-16(2)17-5-8-20(9-6-17)28-15-23(26)24-14-21(25(3)4)18-7-10-22-19(13-18)11-12-27-22/h5-10,13,16,21H,11-12,14-15H2,1-4H3,(H,24,26).

What are the key properties of N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide?

N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 382.50 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,3-dihydro-1-benzofuran-5-yl)-2-(dimethylamino)ethyl]-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 90557965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).