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

C22H23NO5 — CID 7551737

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

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (PubChem CID 7551737) 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] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

Molecular Properties

• Compound Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
• PubChem CID: 7551737
• Molecular Formula: C22H23NO5
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.16
• IUPAC Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
• SMILES: COCc1c(C(=O)OCC(=O)N(C)Cc2ccc(C)cc2)oc2ccccc12
• InChI: InChI=1S/C22H23NO5/c1-15-8-10-16(11-9-15)12-23(2)20(24)14-27-22(25)21-18(13-26-3)17-6-4-5-7-19(17)28-21/h4-11H,12-14H2,1-3H3
• InChIKey: ZVGAPLMVVBTNBW-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	3.70
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] 3-(methoxymethyl)-1-benzofuran-2-carboxylate?

The IUPAC name of [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate (CID 7551737) is [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate.

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

The canonical SMILES for [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is COCc1c(C(=O)OCC(=O)N(C)Cc2ccc(C)cc2)oc2ccccc12.

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

The InChIKey is ZVGAPLMVVBTNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23NO5/c1-15-8-10-16(11-9-15)12-23(2)20(24)14-27-22(25)21-18(13-26-3)17-6-4-5-7-19(17)28-21/h4-11H,12-14H2,1-3H3.

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

[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate has a molecular weight of 381.43 g/mol, XLogP of 3.70, 7 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] 3-(methoxymethyl)-1-benzofuran-2-carboxylate is sourced from PubChem (CID 7551737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).