2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide

C21H26N2O3 — CID 42150870

About 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide

2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide (PubChem CID 42150870) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide.

Molecular Properties

• Compound Name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
• PubChem CID: 42150870
• Molecular Formula: C21H26N2O3
• Molecular Weight: 354.45 g/mol
• Exact Mass: 354.19
• IUPAC Name: 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide
• SMILES: Cc1c(CC(=O)NC[C@H](C)O)c2c(n1Cc1ccccc1)CCCC2=O
• InChI: InChI=1S/C21H26N2O3/c1-14(24)12-22-20(26)11-17-15(2)23(13-16-7-4-3-5-8-16)18-9-6-10-19(25)21(17)18/h3-5,7-8,14,24H,6,9-13H2,1-2H3,(H,22,26)/t14-/m0/s1
• InChIKey: UPNCQRRGXJKDOY-AWEZNQCLSA-N
• XLogP: 2.40
• TPSA: 71.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.45
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide?

The IUPAC name of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide (CID 42150870) is 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide.

What is the SMILES notation for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide?

The canonical SMILES for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide is Cc1c(CC(=O)NC[C@H](C)O)c2c(n1Cc1ccccc1)CCCC2=O.

What is the InChIKey of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide?

The InChIKey is UPNCQRRGXJKDOY-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-14(24)12-22-20(26)11-17-15(2)23(13-16-7-4-3-5-8-16)18-9-6-10-19(25)21(17)18/h3-5,7-8,14,24H,6,9-13H2,1-2H3,(H,22,26)/t14-/m0/s1.

What are the key properties of 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide?

2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide has a molecular weight of 354.45 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-benzyl-2-methyl-4-oxo-6,7-dihydro-5H-indol-3-yl)-N-[(2S)-2-hydroxypropyl]acetamide is sourced from PubChem (CID 42150870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).