2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide

C32H32N6O4 — CID 70243576

About 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide

2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide (PubChem CID 70243576) has the molecular formula C32H32N6O4 and a molecular weight of 564.65 g/mol. Its IUPAC name is 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide.

Molecular Properties

• Compound Name: 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide
• PubChem CID: 70243576
• Molecular Formula: C32H32N6O4
• Molecular Weight: 564.65 g/mol
• Exact Mass: 564.25
• IUPAC Name: 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide
• SMILES: CC(=O)NCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NC=Cc1c[nH]c2cnc(OCc3ccccc3)cc12
• InChI: InChI=1S/C32H32N6O4/c1-22(39)34-19-32(41)38(14-12-25-17-35-28-10-6-5-9-26(25)28)20-30(40)33-13-11-24-16-36-29-18-37-31(15-27(24)29)42-21-23-7-3-2-4-8-23/h2-11,13,15-18,35-36H,12,14,19-21H2,1H3,(H,33,40)(H,34,39)
• InChIKey: NBAQEEDGHVPHFQ-UHFFFAOYSA-N
• XLogP: 3.92
• TPSA: 132.21 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.65
LogP ≤ 5	3.92
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide?

The IUPAC name of 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide (CID 70243576) is 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide.

What is the SMILES notation for 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide?

The canonical SMILES for 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide is CC(=O)NCC(=O)N(CCc1c[nH]c2ccccc12)CC(=O)NC=Cc1c[nH]c2cnc(OCc3ccccc3)cc12.

What is the InChIKey of 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide?

The InChIKey is NBAQEEDGHVPHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N6O4/c1-22(39)34-19-32(41)38(14-12-25-17-35-28-10-6-5-9-26(25)28)20-30(40)33-13-11-24-16-36-29-18-37-31(15-27(24)29)42-21-23-7-3-2-4-8-23/h2-11,13,15-18,35-36H,12,14,19-21H2,1H3,(H,33,40)(H,34,39).

What are the key properties of 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide?

2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide has a molecular weight of 564.65 g/mol, XLogP of 3.92, 12 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-acetamido-N-[2-(1H-indol-3-yl)ethyl]-N-[2-oxo-2-[2-(5-phenylmethoxy-1H-pyrrolo[2,3-c]pyridin-3-yl)ethenylamino]ethyl]acetamide is sourced from PubChem (CID 70243576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).