2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C20H22N2O2 — CID 26351632

About 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 26351632) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

• Compound Name: 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
• PubChem CID: 26351632
• Molecular Formula: C20H22N2O2
• Molecular Weight: 322.41 g/mol
• Exact Mass: 322.17
• IUPAC Name: 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
• SMILES: Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)CC1CC1)C2
• InChI: InChI=1S/C20H22N2O2/c1-13-8-15-11-16(12-22-19(23)10-14-5-6-14)24-20(15)17(9-13)18-4-2-3-7-21-18/h2-4,7-9,14,16H,5-6,10-12H2,1H3,(H,22,23)/t16-/m1/s1
• InChIKey: MDXUHUYARLLWBW-MRXNPFEDSA-N
• XLogP: 3.28
• TPSA: 51.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	322.41
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?

The IUPAC name of 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 26351632) is 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

What is the SMILES notation for 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?

The canonical SMILES for 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is Cc1cc2c(c(-c3ccccn3)c1)O[C@@H](CNC(=O)CC1CC1)C2.

What is the InChIKey of 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?

The InChIKey is MDXUHUYARLLWBW-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-13-8-15-11-16(12-22-19(23)10-14-5-6-14)24-20(15)17(9-13)18-4-2-3-7-21-18/h2-4,7-9,14,16H,5-6,10-12H2,1H3,(H,22,23)/t16-/m1/s1.

What are the key properties of 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?

2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 322.41 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-N-[[(2R)-5-methyl-7-pyridin-2-yl-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 26351632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).