N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide

C29H32N2O4 — CID 53099429

About N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide

N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide (PubChem CID 53099429) has the molecular formula C29H32N2O4 and a molecular weight of 472.59 g/mol. Its IUPAC name is N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide
• PubChem CID: 53099429
• Molecular Formula: C29H32N2O4
• Molecular Weight: 472.59 g/mol
• Exact Mass: 472.24
• IUPAC Name: N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide
• SMILES: CCOc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1OCC
• InChI: InChI=1S/C29H32N2O4/c1-4-34-26-14-12-21(17-27(26)35-5-2)18-28(32)30-19-22-11-13-24-15-20(3)31(25(24)16-22)29(33)23-9-7-6-8-10-23/h6-14,16-17,20H,4-5,15,18-19H2,1-3H3,(H,30,32)
• InChIKey: RGZGPCSSBFVKQW-UHFFFAOYSA-N
• XLogP: 4.93
• TPSA: 67.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.59
LogP ≤ 5	4.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide?

The IUPAC name of N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide (CID 53099429) is N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide.

What is the SMILES notation for N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide?

The canonical SMILES for N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide is CCOc1ccc(CC(=O)NCc2ccc3c(c2)N(C(=O)c2ccccc2)C(C)C3)cc1OCC.

What is the InChIKey of N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide?

The InChIKey is RGZGPCSSBFVKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O4/c1-4-34-26-14-12-21(17-27(26)35-5-2)18-28(32)30-19-22-11-13-24-15-20(3)31(25(24)16-22)29(33)23-9-7-6-8-10-23/h6-14,16-17,20H,4-5,15,18-19H2,1-3H3,(H,30,32).

What are the key properties of N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide?

N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide has a molecular weight of 472.59 g/mol, XLogP of 4.93, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-benzoyl-2-methyl-2,3-dihydroindol-6-yl)methyl]-2-(3,4-diethoxyphenyl)acetamide is sourced from PubChem (CID 53099429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).