N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

C23H26N2O3 — CID 40702585

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 40702585) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

• Compound Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
• PubChem CID: 40702585
• Molecular Formula: C23H26N2O3
• Molecular Weight: 378.47 g/mol
• Exact Mass: 378.19
• IUPAC Name: N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
• SMILES: COc1ccc(CN(CC(=O)N[C@H](C)c2cc3ccccc3o2)C2CC2)cc1
• InChI: InChI=1S/C23H26N2O3/c1-16(22-13-18-5-3-4-6-21(18)28-22)24-23(26)15-25(19-9-10-19)14-17-7-11-20(27-2)12-8-17/h3-8,11-13,16,19H,9-10,14-15H2,1-2H3,(H,24,26)/t16-/m1/s1
• InChIKey: CWUZNROMBPZREX-MRXNPFEDSA-N
• XLogP: 4.28
• TPSA: 54.71 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	378.47
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?

The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (CID 40702585) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.

What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?

The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is COc1ccc(CN(CC(=O)N[C@H](C)c2cc3ccccc3o2)C2CC2)cc1.

What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?

The InChIKey is CWUZNROMBPZREX-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16(22-13-18-5-3-4-6-21(18)28-22)24-23(26)15-25(19-9-10-19)14-17-7-11-20(27-2)12-8-17/h3-8,11-13,16,19H,9-10,14-15H2,1-2H3,(H,24,26)/t16-/m1/s1.

What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 378.47 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 40702585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).