N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide

C23H28N2O4 — CID 9399027

About N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide

N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide (PubChem CID 9399027) has the molecular formula C23H28N2O4 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide.

Molecular Properties

• Compound Name: N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
• PubChem CID: 9399027
• Molecular Formula: C23H28N2O4
• Molecular Weight: 396.49 g/mol
• Exact Mass: 396.20
• IUPAC Name: N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide
• SMILES: CCOc1cc2c(cc1CNC(=O)CNC(=O)c1ccc(C)c(C)c1)O[C@@H](C)C2
• InChI: InChI=1S/C23H28N2O4/c1-5-28-20-10-18-9-16(4)29-21(18)11-19(20)12-24-22(26)13-25-23(27)17-7-6-14(2)15(3)8-17/h6-8,10-11,16H,5,9,12-13H2,1-4H3,(H,24,26)(H,25,27)/t16-/m0/s1
• InChIKey: HIZAOSUNRUKORZ-INIZCTEOSA-N
• XLogP: 3.07
• TPSA: 76.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	396.49
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide?

The IUPAC name of N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide (CID 9399027) is N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide.

What is the SMILES notation for N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide?

The canonical SMILES for N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide is CCOc1cc2c(cc1CNC(=O)CNC(=O)c1ccc(C)c(C)c1)O[C@@H](C)C2.

What is the InChIKey of N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide?

The InChIKey is HIZAOSUNRUKORZ-INIZCTEOSA-N. The full InChI is InChI=1S/C23H28N2O4/c1-5-28-20-10-18-9-16(4)29-21(18)11-19(20)12-24-22(26)13-25-23(27)17-7-6-14(2)15(3)8-17/h6-8,10-11,16H,5,9,12-13H2,1-4H3,(H,24,26)(H,25,27)/t16-/m0/s1.

What are the key properties of N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide?

N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide has a molecular weight of 396.49 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methylamino]-2-oxoethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 9399027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).