N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

C23H27NO4 — CID 55461094

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (PubChem CID 55461094) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

Molecular Properties

• Compound Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
• PubChem CID: 55461094
• Molecular Formula: C23H27NO4
• Molecular Weight: 381.47 g/mol
• Exact Mass: 381.19
• IUPAC Name: N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide
• SMILES: COc1ccc(C(NC(=O)COc2cccc3c2OC(C)(C)C3)C2CC2)cc1
• InChI: InChI=1S/C23H27NO4/c1-23(2)13-17-5-4-6-19(22(17)28-23)27-14-20(25)24-21(15-7-8-15)16-9-11-18(26-3)12-10-16/h4-6,9-12,15,21H,7-8,13-14H2,1-3H3,(H,24,25)
• InChIKey: NHIPGFQRQLIPSM-UHFFFAOYSA-N
• XLogP: 4.05
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.47
LogP ≤ 5	4.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?

The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide (CID 55461094) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide.

What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?

The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is COc1ccc(C(NC(=O)COc2cccc3c2OC(C)(C)C3)C2CC2)cc1.

What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?

The InChIKey is NHIPGFQRQLIPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-23(2)13-17-5-4-6-19(22(17)28-23)27-14-20(25)24-21(15-7-8-15)16-9-11-18(26-3)12-10-16/h4-6,9-12,15,21H,7-8,13-14H2,1-3H3,(H,24,25).

What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide?

N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide has a molecular weight of 381.47 g/mol, XLogP of 4.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]acetamide is sourced from PubChem (CID 55461094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).