(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide

C16H24N2O3 — CID 79011910

About (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide

(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide (PubChem CID 79011910) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide.

Molecular Properties

• Compound Name: (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide
• PubChem CID: 79011910
• Molecular Formula: C16H24N2O3
• Molecular Weight: 292.38 g/mol
• Exact Mass: 292.18
• IUPAC Name: (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide
• SMILES: CCOc1cc2c(cc1NC(=O)[C@H](N)C(C)C)OC(C)C2
• InChI: InChI=1S/C16H24N2O3/c1-5-20-14-7-11-6-10(4)21-13(11)8-12(14)18-16(19)15(17)9(2)3/h7-10,15H,5-6,17H2,1-4H3,(H,18,19)/t10?,15-/m1/s1
• InChIKey: YRYDNAQQENWVJK-GENIYJEYSA-N
• XLogP: 2.33
• TPSA: 73.58 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	292.38
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide?

The IUPAC name of (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide (CID 79011910) is (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide.

What is the SMILES notation for (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide?

The canonical SMILES for (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide is CCOc1cc2c(cc1NC(=O)[C@H](N)C(C)C)OC(C)C2.

What is the InChIKey of (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide?

The InChIKey is YRYDNAQQENWVJK-GENIYJEYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-20-14-7-11-6-10(4)21-13(11)8-12(14)18-16(19)15(17)9(2)3/h7-10,15H,5-6,17H2,1-4H3,(H,18,19)/t10?,15-/m1/s1.

What are the key properties of (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide?

(2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide has a molecular weight of 292.38 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-amino-N-(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylbutanamide is sourced from PubChem (CID 79011910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).