N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide

C32H37N3O5 — CID 22627581

About N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide

N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide (PubChem CID 22627581) has the molecular formula C32H37N3O5 and a molecular weight of 543.66 g/mol. Its IUPAC name is N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide.

Molecular Properties

• Compound Name: N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide
• PubChem CID: 22627581
• Molecular Formula: C32H37N3O5
• Molecular Weight: 543.66 g/mol
• Exact Mass: 543.27
• IUPAC Name: N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide
• SMILES: COCCc1ccc(OCC(=O)NC(CNC(=O)CCc2ccccc2OC)Cc2c[nH]c3ccccc23)cc1
• InChI: InChI=1S/C32H37N3O5/c1-38-18-17-23-11-14-27(15-12-23)40-22-32(37)35-26(19-25-20-33-29-9-5-4-8-28(25)29)21-34-31(36)16-13-24-7-3-6-10-30(24)39-2/h3-12,14-15,20,26,33H,13,16-19,21-22H2,1-2H3,(H,34,36)(H,35,37)
• InChIKey: RPRRUVDRCICRES-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 101.68 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	543.66
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide?

The IUPAC name of N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide (CID 22627581) is N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide.

What is the SMILES notation for N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide?

The canonical SMILES for N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide is COCCc1ccc(OCC(=O)NC(CNC(=O)CCc2ccccc2OC)Cc2c[nH]c3ccccc23)cc1.

What is the InChIKey of N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide?

The InChIKey is RPRRUVDRCICRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N3O5/c1-38-18-17-23-11-14-27(15-12-23)40-22-32(37)35-26(19-25-20-33-29-9-5-4-8-28(25)29)21-34-31(36)16-13-24-7-3-6-10-30(24)39-2/h3-12,14-15,20,26,33H,13,16-19,21-22H2,1-2H3,(H,34,36)(H,35,37).

What are the key properties of N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide?

N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide has a molecular weight of 543.66 g/mol, XLogP of 4.22, 15 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(1H-indol-3-yl)-2-[[2-[4-(2-methoxyethyl)phenoxy]acetyl]amino]propyl]-3-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 22627581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).