[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

C22H23NO5 — CID 7270350

About [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (PubChem CID 7270350) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
• PubChem CID: 7270350
• Molecular Formula: C22H23NO5
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.16
• IUPAC Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
• SMILES: COc1ccc2oc(C(=O)OCC(=O)N(C)Cc3ccc(C)cc3)c(C)c2c1
• InChI: InChI=1S/C22H23NO5/c1-14-5-7-16(8-6-14)12-23(3)20(24)13-27-22(25)21-15(2)18-11-17(26-4)9-10-19(18)28-21/h5-11H,12-13H2,1-4H3
• InChIKey: XTWVXYMWCXRIGF-UHFFFAOYSA-N
• XLogP: 3.87
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?

The IUPAC name of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate (CID 7270350) is [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate.

What is the SMILES notation for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?

The canonical SMILES for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is COc1ccc2oc(C(=O)OCC(=O)N(C)Cc3ccc(C)cc3)c(C)c2c1.

What is the InChIKey of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?

The InChIKey is XTWVXYMWCXRIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-14-5-7-16(8-6-14)12-23(3)20(24)13-27-22(25)21-15(2)18-11-17(26-4)9-10-19(18)28-21/h5-11H,12-13H2,1-4H3.

What are the key properties of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate?

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 3.87, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7270350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).