ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate

C16H23NO4 — CID 115282644

About ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate

ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate (PubChem CID 115282644) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate.

Molecular Properties

• Compound Name: ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate
• PubChem CID: 115282644
• Molecular Formula: C16H23NO4
• Molecular Weight: 293.36 g/mol
• Exact Mass: 293.16
• IUPAC Name: ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate
• SMILES: CCOC(=O)C(C)NCc1cc2c(cc1OC)CC(C)O2
• InChI: InChI=1S/C16H23NO4/c1-5-20-16(18)11(3)17-9-13-8-15-12(6-10(2)21-15)7-14(13)19-4/h7-8,10-11,17H,5-6,9H2,1-4H3
• InChIKey: CLXGOOPJRZWBOL-UHFFFAOYSA-N
• XLogP: 2.06
• 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	2.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate?

The IUPAC name of ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate (CID 115282644) is ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate.

What is the SMILES notation for ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate?

The canonical SMILES for ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate is CCOC(=O)C(C)NCc1cc2c(cc1OC)CC(C)O2.

What is the InChIKey of ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate?

The InChIKey is CLXGOOPJRZWBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-5-20-16(18)11(3)17-9-13-8-15-12(6-10(2)21-15)7-14(13)19-4/h7-8,10-11,17H,5-6,9H2,1-4H3.

What are the key properties of ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate?

ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate has a molecular weight of 293.36 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]propanoate is sourced from PubChem (CID 115282644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).