2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide

C21H25N3O2 — CID 8729209

About 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 8729209) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
• PubChem CID: 8729209
• Molecular Formula: C21H25N3O2
• Molecular Weight: 351.45 g/mol
• Exact Mass: 351.19
• IUPAC Name: 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide
• SMILES: Cc1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3C[C@@H]2C)cc1
• InChI: InChI=1S/C21H25N3O2/c1-15-8-10-18(11-9-15)22-20(25)13-23(3)14-21(26)24-16(2)12-17-6-4-5-7-19(17)24/h4-11,16H,12-14H2,1-3H3,(H,22,25)/t16-/m0/s1
• InChIKey: OGDMJPQKYJDXDO-INIZCTEOSA-N
• XLogP: 2.84
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.45
LogP ≤ 5	2.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?

The IUPAC name of 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide (CID 8729209) is 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide.

What is the SMILES notation for 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?

The canonical SMILES for 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)N2c3ccccc3C[C@@H]2C)cc1.

What is the InChIKey of 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?

The InChIKey is OGDMJPQKYJDXDO-INIZCTEOSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-15-8-10-18(11-9-15)22-20(25)13-23(3)14-21(26)24-16(2)12-17-6-4-5-7-19(17)24/h4-11,16H,12-14H2,1-3H3,(H,22,25)/t16-/m0/s1.

What are the key properties of 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide?

2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 351.45 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[methyl-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8729209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).