2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide

C25H32ClN3O3 — CID 139919390

About 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide

2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide (PubChem CID 139919390) has the molecular formula C25H32ClN3O3 and a molecular weight of 458.00 g/mol. Its IUPAC name is 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide.

Molecular Properties

• Compound Name: 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide
• PubChem CID: 139919390
• Molecular Formula: C25H32ClN3O3
• Molecular Weight: 458.00 g/mol
• Exact Mass: 457.21
• IUPAC Name: 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide
• SMILES: COc1ccc(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)cc1OCCN(C(C)C)C(C)C
• InChI: InChI=1S/C25H32ClN3O3/c1-16(2)29(17(3)4)10-11-32-24-14-20(7-9-23(24)31-5)28-25(30)15-21-13-18-12-19(26)6-8-22(18)27-21/h6-9,12-14,16-17,27H,10-11,15H2,1-5H3,(H,28,30)
• InChIKey: IUJYGEXDFJFDNO-UHFFFAOYSA-N
• XLogP: 5.51
• TPSA: 66.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.00
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide?

The IUPAC name of 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide (CID 139919390) is 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide.

What is the SMILES notation for 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide?

The canonical SMILES for 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide is COc1ccc(NC(=O)Cc2cc3cc(Cl)ccc3[nH]2)cc1OCCN(C(C)C)C(C)C.

What is the InChIKey of 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide?

The InChIKey is IUJYGEXDFJFDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32ClN3O3/c1-16(2)29(17(3)4)10-11-32-24-14-20(7-9-23(24)31-5)28-25(30)15-21-13-18-12-19(26)6-8-22(18)27-21/h6-9,12-14,16-17,27H,10-11,15H2,1-5H3,(H,28,30).

What are the key properties of 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide?

2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide has a molecular weight of 458.00 g/mol, XLogP of 5.51, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-chloro-1H-indol-2-yl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]acetamide is sourced from PubChem (CID 139919390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).