methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate

C16H23NO4 — CID 115349864

About methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate

methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate (PubChem CID 115349864) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate.

Molecular Properties

• Compound Name: methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate
• PubChem CID: 115349864
• Molecular Formula: C16H23NO4
• Molecular Weight: 293.36 g/mol
• Exact Mass: 293.16
• IUPAC Name: methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate
• SMILES: CCCNC(C(=O)OC)c1cc2c(cc1OC)CC(C)O2
• InChI: InChI=1S/C16H23NO4/c1-5-6-17-15(16(18)20-4)12-9-13-11(7-10(2)21-13)8-14(12)19-3/h8-10,15,17H,5-7H2,1-4H3
• InChIKey: PAILYEQSOUHZRJ-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 56.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.36
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate?

The IUPAC name of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate (CID 115349864) is methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate.

What is the SMILES notation for methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate?

The canonical SMILES for methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate is CCCNC(C(=O)OC)c1cc2c(cc1OC)CC(C)O2.

What is the InChIKey of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate?

The InChIKey is PAILYEQSOUHZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-6-17-15(16(18)20-4)12-9-13-11(7-10(2)21-13)8-14(12)19-3/h8-10,15,17H,5-7H2,1-4H3.

What are the key properties of methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate?

methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate has a molecular weight of 293.36 g/mol, XLogP of 2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-(propylamino)acetate is sourced from PubChem (CID 115349864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).