N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C26H32Cl2N4O2 — CID 4625918

About N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide

N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 4625918) has the molecular formula C26H32Cl2N4O2 and a molecular weight of 503.47 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

• Compound Name: N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
• PubChem CID: 4625918
• Molecular Formula: C26H32Cl2N4O2
• Molecular Weight: 503.47 g/mol
• Exact Mass: 502.19
• IUPAC Name: N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide
• SMILES: CCNC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C
• InChI: InChI=1S/C26H32Cl2N4O2/c1-4-29-26(34)32(15-18(2)3)17-25(33)31(16-19-9-10-22(27)23(28)13-19)12-11-20-14-30-24-8-6-5-7-21(20)24/h5-10,13-14,18,30H,4,11-12,15-17H2,1-3H3,(H,29,34)
• InChIKey: FUIKGKMGPJPVPY-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 68.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 2
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	503.47
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?

The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 4625918) is N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?

The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is CCNC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(Cl)c(Cl)c1)CC(C)C.

What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?

The InChIKey is FUIKGKMGPJPVPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32Cl2N4O2/c1-4-29-26(34)32(15-18(2)3)17-25(33)31(16-19-9-10-22(27)23(28)13-19)12-11-20-14-30-24-8-6-5-7-21(20)24/h5-10,13-14,18,30H,4,11-12,15-17H2,1-3H3,(H,29,34).

What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide?

N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 503.47 g/mol, XLogP of 5.73, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,4-dichlorophenyl)methyl]-2-[ethylcarbamoyl(2-methylpropyl)amino]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 4625918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).